Exact Mass: 407.1117302
Exact Mass Matches: 407.1117302
Found 288 metabolites which its exact mass value is equals to given mass value 407.1117302,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cefzil
C18H21N3O6S (407.11510060000006)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Sitagliptin
C16H15F6N5O (407.11807319999997)
Sitagliptin is a new oral hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. This enzyme-inhibiting drug is to be used either alone or in combination with metformin or a thiazolidinedione for control of type 2 diabetes mellitus. The drug works to competitively inhibit a protein/enzyme, dipeptidyl peptidase 4 (DPP-4), that results in an increased amount of active incretins (GLP-1 and GIP), reduced amount of release of glucagon (diminishes its release) and increased release of insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine
gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine is found in pulses. gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine is isolated from the seeds of Phaseolus radiatus var. typicus. Isolated from the seeds of Phaseolus radiatus variety typicus. gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine is found in pulses.
8-Carboxymethyldihydrochelerythrine
C23H21NO6 (407.13688060000004)
8-Carboxymethyldihydrochelerythrine is found in fruits. 8-Carboxymethyldihydrochelerythrine is an alkaloid reported to occur in Zanthoxylum simulans (Szechuan pepper
Erysothiopine
C19H21NO7S (407.10386760000006)
Erysothiopine is found in green vegetables. Erysothiopine is an alkaloid from the seeds of Erythrina glauca (gallito
5-Hydroxy, 6-methoxy duloxetine sulfate
C19H21NO7S (407.10386760000006)
5-Hydroxy, 6-methoxy duloxetine sulfate is a metabolite of duloxetine. Duloxetine (sold under the brand names Cymbalta, Ariclaim, Xeristar, Yentreve, Duzela) is a serotonin-norepinephrine reuptake inhibitor (SNRI) manufactured and marketed by Eli Lilly. It is effective for major depressive disorder and generalized anxiety disorder (GAD). (Wikipedia)
(E)-4-Chloro-N-(3-(3-(4-hydroxy-3-methoxyphenyl)acryloyl)phenyl)benzamide
C23H18ClNO4 (407.09242980000005)
N-[2-[(2-Oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
C22H21N3O3S (407.13035560000003)
Pyrazolopyridine analog
N-(7-((2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyl-tetrahydro-2H-pyran-2-yloxy)-8-methyl-2-oxo-2H-chromen-3-yl)acetamide
N-Desmethyl Topotecan
C22H21N3O5 (407.14811360000004)
rac-Sitagliptin
C16H15F6N5O (407.11807319999997)
8'-(Pyridin-2-ylmethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
C26H17NO4 (407.11575220000003)
Terutroban
C20H22ClNO4S (407.0958002000001)
(16-hydroxy-3beta-methoxy-erythrina-1,6-dien-15-yloxysulfonyl)-acetic acid|(16-Hydroxy-3beta-methoxy-erythrina-1,6-dien-15-yloxysulfonyl)-essigsaeure|(3beta)-1,2,6,7-tetradehydro-3-methoxy-erythrinan-15,16-diol, 15-S-ester with sulfoaceticacid|Erysothiopine|Erysotrine
C19H21NO7S (407.10386760000006)
4,8-dimethoxy-furo[2,3-b]quinolin-7-yl beta-D-glucopyranoside|Glucohaplin|glucohapline|glycohaplopine|O-beta-D-glucopyranosyl-haplopine
(3S,11aS)-3-[(1H-indol-3-yl)methyl]-7,9-dihydroxy-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
C22H21N3O5 (407.14811360000004)
JTE-013
Sitagliptin
C16H15F6N5O (407.11807319999997)
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D054795 - Incretins COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D007004 - Hypoglycemic Agents > D054873 - Dipeptidyl-Peptidase IV Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 84 CONFIDENCE standard compound; INTERNAL_ID 2257 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2903
trazodone hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Trazodone hydrochloride (AF-1161) is a serotonin receptor antagonist and reuptake inhibitor. Trazodone hydrochloride can be used for the research of major depressive disorder. Trazodone hydrochloride also has potential for sleep disorder research[1].
PharmaGSID_48506
C19H22ClN3O3S (407.10703320000005)
CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4364; ORIGINAL_PRECURSOR_SCAN_NO 4361 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4388; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4368; ORIGINAL_PRECURSOR_SCAN_NO 4366 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4379; ORIGINAL_PRECURSOR_SCAN_NO 4377 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4381 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9274; ORIGINAL_PRECURSOR_SCAN_NO 9269 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9271; ORIGINAL_PRECURSOR_SCAN_NO 9270 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9273; ORIGINAL_PRECURSOR_SCAN_NO 9271 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9287; ORIGINAL_PRECURSOR_SCAN_NO 9284 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9304; ORIGINAL_PRECURSOR_SCAN_NO 9303 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9292; ORIGINAL_PRECURSOR_SCAN_NO 9291
Ala Cys Asn Thr
Ala Cys Gln Ser
Ala Cys Ser Gln
Ala Cys Thr Asn
Ala Asn Cys Thr
Ala Asn Thr Cys
Ala Gln Cys Ser
Ala Gln Ser Cys
Ala Ser Cys Gln
Ala Ser Gln Cys
Ala Thr Cys Asn
Ala Thr Asn Cys
Cys Ala Asn Thr
Cys Ala Gln Ser
Cys Ala Ser Gln
Cys Ala Thr Asn
Cys Asp Gly Asn
C13H21N5O8S (407.11107860000004)
Cys Asp Asn Gly
C13H21N5O8S (407.11107860000004)
Cys Gly Asp Asn
C13H21N5O8S (407.11107860000004)
Cys Gly Asn Asp
C13H21N5O8S (407.11107860000004)
Cys Gly Gln Thr
Cys Gly Thr Gln
Cys Asn Ala Thr
Cys Asn Asp Gly
C13H21N5O8S (407.11107860000004)
Cys Asn Gly Asp
C13H21N5O8S (407.11107860000004)
Cys Asn Thr Ala
Cys Gln Ala Ser
Cys Gln Gly Thr
Cys Gln Ser Ala
Cys Gln Thr Gly
Cys Ser Ala Gln
Cys Ser Gln Ala
Cys Thr Ala Asn
Cys Thr Gly Gln
Cys Thr Asn Ala
Cys Thr Gln Gly
Asp Cys Gly Asn
C13H21N5O8S (407.11107860000004)
Asp Cys Asn Gly
C13H21N5O8S (407.11107860000004)
Asp Gly Cys Asn
C13H21N5O8S (407.11107860000004)
Asp Gly Asn Cys
C13H21N5O8S (407.11107860000004)
Asp Asn Cys Gly
C13H21N5O8S (407.11107860000004)
Asp Asn Gly Cys
C13H21N5O8S (407.11107860000004)
Gly Cys Asp Asn
C13H21N5O8S (407.11107860000004)
Gly Cys Asn Asp
C13H21N5O8S (407.11107860000004)
Gly Cys Gln Thr
Gly Cys Thr Gln
Gly Asp Cys Asn
C13H21N5O8S (407.11107860000004)
Gly Asp Asn Cys
C13H21N5O8S (407.11107860000004)
Gly Met Asn Ser
Gly Met Ser Asn
Gly Asn Cys Asp
C13H21N5O8S (407.11107860000004)
Gly Asn Asp Cys
C13H21N5O8S (407.11107860000004)
Gly Asn Met Ser
Gly Asn Ser Met
Gly Gln Cys Thr
Gly Gln Thr Cys
Gly Ser Met Asn
Gly Ser Asn Met
Gly Thr Cys Gln
Gly Thr Gln Cys
Met Gly Asn Ser
Met Gly Ser Asn
Met Asn Gly Ser
Met Asn Ser Gly
Met Ser Gly Asn
Met Ser Asn Gly
Asn Ala Cys Thr
Asn Ala Thr Cys
Asn Cys Ala Thr
Asn Cys Asp Gly
C13H21N5O8S (407.11107860000004)
Asn Cys Gly Asp
C13H21N5O8S (407.11107860000004)
Asn Cys Thr Ala
Asn Asp Cys Gly
C13H21N5O8S (407.11107860000004)
Asn Asp Gly Cys
C13H21N5O8S (407.11107860000004)
Asn Gly Cys Asp
C13H21N5O8S (407.11107860000004)
Asn Gly Asp Cys
C13H21N5O8S (407.11107860000004)
Asn Gly Met Ser
Asn Gly Ser Met
Asn Met Gly Ser
Asn Met Ser Gly
Asn Ser Gly Met
Asn Ser Met Gly
Asn Thr Ala Cys
Asn Thr Cys Ala
Gln Ala Cys Ser
Gln Ala Ser Cys
Gln Cys Ala Ser
Gln Cys Gly Thr
Gln Cys Ser Ala
Gln Cys Thr Gly
Gln Gly Cys Thr
Gln Gly Thr Cys
Gln Ser Ala Cys
Gln Ser Cys Ala
Gln Thr Cys Gly
Gln Thr Gly Cys
Ser Ala Cys Gln
Ser Ala Gln Cys
Ser Cys Ala Gln
Ser Cys Gln Ala
Ser Gly Met Asn
Ser Gly Asn Met
Ser Met Gly Asn
Ser Met Asn Gly
Ser Asn Gly Met
Ser Asn Met Gly
Ser Gln Ala Cys
Ser Gln Cys Ala
Thr Ala Cys Asn
Thr Ala Asn Cys
Thr Cys Ala Asn
Thr Cys Gly Gln
Thr Cys Asn Ala
Thr Cys Gln Gly
Thr Gly Cys Gln
Thr Gly Gln Cys
Thr Asn Ala Cys
Thr Asn Cys Ala
Thr Gln Cys Gly
Thr Gln Gly Cys
YS121
C20H26ClN3O2S (407.1434166000001)
8-Carboxymethyldihydrochelerythrine
C23H21NO6 (407.13688060000004)
Erysothiopine
C19H21NO7S (407.10386760000006)
MA 20565
gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine
2-([4-(2-Chlorophenyl)-3-ethoxycarbonyl-6-methyl-2-picolinyl]methoxyacetic acid
1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone, monohydrochloride
C23H22ClN3O2 (407.14004620000003)
Ezetimibe Ketone
C24H19F2NO3 (407.13329280000005)
Ezetimibe ketone (EZM-K) is a phase-I metabolite of Ezetimibe. Ezetimibe is a Niemann-Pick C1-like1 (NPC1L1) inhibitor, and is a potent Nrf2 activator. Ezetimibe is a potent cholesterol absorption inhibitor[1][2][3].
3-(2-BROMO-2-ETHOXYCARBONYL-VINYL)-2-METHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C19H22BrNO4 (407.07321120000006)
Pinadoline
C19H19Cl2N3O3 (407.08034040000007)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
(4-CHLORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
C23H18ClNO4 (407.09242980000005)
3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole
C19H25N3O5S (407.15148400000004)
1-NAPTHALENEPROPANOIC ACID, 6-(((4-CHLOROPHENYL)SULFONYL)AMINO)-5,6,7,8-TETRAHYDRO-2-METHYL
C20H22ClNO4S (407.0958002000001)
Fmoc-(R)-3-Amino-4-(2-thienyl)-butyric acid
C23H21NO4S (407.1191226000001)
Benzenesulfonic acid, 4-[4-[[4-(dimethylamino) phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt
C19H18N3NaO4S (407.09156680000007)
(3-CHLORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
C23H18ClNO4 (407.09242980000005)
Fmoc-(S)-3-Amino-4-(3-thienyl)-butyric acid
C23H21NO4S (407.1191226000001)
(S)-TERT-BUTYL 3-FORMYLPYRROLIDINE-1-CARBOXYLATE
C24H19F2NO3 (407.13329280000005)
r(-)-2-(2-(diphenylphosphino)phenyl)-
C27H22NOP (407.14389320000004)
(3-(3,4-DIMETHYL-9-OXO-9H-THIOXANTHEN-2- YLOXY)-2-OH-PROPYL)TRI-ME-AMMON CL 97
C21H26ClNO3S (407.1321836000001)
N,N,N,N-BIS(TETRAMETHYLENE)-O-(1,2-DIHYDRO-2-OXO-1-PYRIDYL)URONIUM HEXAFLUOROPHOSPHATE
TRIMETHYL [2,2:6,2-TERPYRIDINE]-4,4,4-TRICARBOXYLATE
Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid
C23H21NO4S (407.1191226000001)
Velneperit
C78272 - Agent Affecting Nervous System > C29728 - Anorexiant Velneperit (S-2367) is a novel neuropeptide Y (NPY) Y5 receptor antagonist. Target: neuropeptide Y receptor Velneperit (S-2367) is a once-daily, oral, centrally acting, small molecule neuropeptide Y (NPY) Y5 receptor antagonist.
Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid
C23H21NO4S (407.1191226000001)
4-(2-BROMOPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLICACIDDIETHYLESTER
C19H22BrNO4 (407.07321120000006)
4,11-diamine-2-[3-(1-methylethoxy)propyl]-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
C22H21N3O5 (407.14811360000004)
tert-Butyl (2S,4S)-2-(5-iodo-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
(5aS,10bR)-5a,10b-Dihydro-2-(4-methoxyphenyl)-4H,6Hindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Tetrafluoroborate,99\\%e.e.
7-[(3R)-3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
C16H15F6N5O (407.11807319999997)
(5aR,10bS)-5a,10b-Dihydro-2-(4-methoxyphenyl)-4H,6Hindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Tetrafluoroborate,99\\%e.e.
S(+)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-4-PHENYL-2-OXAZOLINE
C27H22NOP (407.14389320000004)
Inavolisib
C18H19F2N5O4 (407.14050380000003)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D000081082 - Phosphoinositide-3 Kinase Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Razupenem
C18H21N3O4S2 (407.09734260000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Clopipazan mesylate
C20H22ClNO4S (407.0958002000001)
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N-[7-(3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-8-methyl-2-oxochromen-3-yl]acetamide
4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
C22H21N3O3S (407.13035560000003)
ML141 (CID-2950007) is a potent, allosteric, selective and reversible non-competitive inhibitor of Cdc42 GTPase. ML141 inhibits Cdc42 wild type and Cdc42 Q61L mutant with EC50s of 2.1 and 2.6 μM, respectively. ML141 shows low micromolar potency and selectivity against other members of the Rho family of GTPases (Rac1, Rab2, Rab7). ML141 do not show cytotoxicity in multiple cell lines[1][2].
3-(2-{(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
C21H14ClN3O4 (407.0672794000001)
N-(1,3-benzodioxol-5-ylmethyl)-3-cyclopentyl-2,4-dioxo-1H-quinazoline-7-carboxamide
C22H21N3O5 (407.14811360000004)
5-(4-Morpholinyl)-6-nitro-2-(5,6,7,8-tetrahydronaphthalen-1-yl)isoindole-1,3-dione
C22H21N3O5 (407.14811360000004)
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide
AP, 90\\%, Fluorescent probe, for tracing H2O2
C22H14FNO4S (407.06275360000006)
{4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
C19H21NO7S (407.10386760000006)
3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
C23H22ClN3O2 (407.14004620000003)
(1S,2S,3R,4S,5S)-2,3,4-Trihydroxy-5-(hydroxymethyl)cyclohexyl (1E)-2-phenyl-N-(sulfooxy)ethanimidothioate
8'-(Pyridin-2-ylmethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4'-naphthalene]-1'-one
C26H17NO4 (407.11575220000003)
3-Carboxy-7-hydroxy-2,9-dimethoxy-4-methyl-6,11-dioxotetracen-5-olate
(E)-4-Chloro-N-(3-(3-(4-hydroxy-3-methoxyphenyl)acryloyl)phenyl)benzamide
C23H18ClNO4 (407.09242980000005)
2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid
C20H26ClN3O2S (407.1434166000001)
7-(4-chlorophenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
C24H22ClNO3 (407.1288132000001)
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,2-difluoroacetamide
4-(2,5-dioxo-1-pyrrolidinyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide
C21H17N3O4S (407.09397220000005)
N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)acetamide
C17H21N5O3S2 (407.10857560000005)
1-(3,4-Dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]urea
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
C21H21N5O2S (407.14158860000003)
Cyclohexylmethyl-[3-[1-(3,4-dichlorophenyl)ethylamino]-2-hydroxypropyl]phosphinic acid
6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
1-(5-methylfuran-2-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
C21H17N3O4S (407.09397220000005)
6,7-dimethoxy-2-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one
C21H21N5O4 (407.15934660000005)
5-[4-[Methyl-[(3-methyl-2-thiophenyl)methyl]amino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester
C22H21N3O3S (407.13035560000003)
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide
3-[1-[2-(1,3-Benzodioxol-5-yl)-1-oxoethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one
C22H21N3O5 (407.14811360000004)
maremycin G
C22H21N3O3S (407.13035560000003)
An indole alkaloid with formula C22H21N3O3S. It is a natural product synthesized by an NRPS/PKS system in Streptomyces sp. B917 and exhibits antifungal properties.
4-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate
beta-D-QuipN4Fm-(1->4)-alpha-D-GalpNAcAN
C15H25N3O10 (407.15398700000003)
(4E)-4-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
C22H21N3O5 (407.14811360000004)
acetylerucifoline N-oxide
A pyrrolizine alkaloid that is erucifoline in which the primary hydroxy hydrogen has been replaced by an acetyl group and the tertiary amino function has been oxidised to the corresponding N-oxide.
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-hydroxy-2-methyl-4-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-hydroxy-3-methyl-1-oxobutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
N-[2-[(2-Oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
C22H21N3O3S (407.13035560000003)
1-(2,6-Dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
LY2795050
C23H22ClN3O2 (407.14004620000003)
LY2795050 is a short-acting selective κ(kappa)-opioid receptor (KOR) antagonist. LY2795050 has high affinity for the KOR with Ki value of 0.72 nM. LY2795050 can be used for the research of central nervous system dysfunction[1][2].
TP003
TP003 is a non-selective benzodiazepine site agonist with EC50s of 20.3, 10.6, 3.24, 5.64 nM for α1β2γ2, α2β3γ2, α3β3γ2, α5β2γ2, respectively. TP003 induces anxiolysis via α2GABAA receptors[1].
{17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}acetic acid
C23H21NO6 (407.13688060000004)
(5s,6s)-1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione
C22H21N3O3S (407.13035560000003)
(2s,6'r)-7-chloro-4,6-dimethoxy-6'-methyl-4'-[(3-methylbutyl)amino]spiro[1-benzofuran-2,1'-cyclohexan]-3'-ene-2',3-dione
C21H26ClNO5 (407.1499416000001)
(3r,11ar)-1,7,9-trihydroxy-3-(3h-indol-2-ylmethyl)-8-methoxy-3h,6h,11h,11ah-pyrazino[1,2-b]isoquinolin-4-one
C22H21N3O5 (407.14811360000004)
5-({1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl}amino)-2-hydroxy-3-methyl-5h-imidazol-4-one
C21H21N5O4 (407.15934660000005)
1(P-hydroxyphenyl)-1-(O-acetyl)prop-2-ene
C18H21N3O6S (407.11510060000006)
{"Ingredient_id": "HBIN002991","Ingredient_name": "1(P-hydroxyphenyl)-1-(O-acetyl)prop-2-ene","Alias": "NA","Ingredient_formula": "C18H21N3O6S","Ingredient_Smile": "CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33452","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-8-quinolyl sulfate
{"Ingredient_id": "HBIN005770","Ingredient_name": "2-hydroxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-8-quinolyl sulfate","Alias": "NA","Ingredient_formula": "C18H17NO8S","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10189","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,7,9-trihydroxy-3-(3h-indol-2-ylmethyl)-8-methoxy-3h,6h,11h,11ah-pyrazino[1,2-b]isoquinolin-4-one
C22H21N3O5 (407.14811360000004)
7,19-dichloro-3,10,13-trimethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene
C23H19Cl2N3 (407.09559540000004)
(2s,10r)-7,19-dichloro-3,10,14-trimethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene
C23H19Cl2N3 (407.09559540000004)
9-hydroxy-5,14-dimethyl-7-oxo-4,12-dioxa-14-azatetracyclo[11.3.1.0²,¹¹.0³,⁸]heptadeca-2,5,8,10-tetraen-16-yl benzoate
C23H21NO6 (407.13688060000004)
1,7,9-trihydroxy-3-(1h-indol-3-ylmethyl)-8-methoxy-3h,6h,11h,11ah-pyrazino[1,2-b]isoquinolin-4-one
C22H21N3O5 (407.14811360000004)
{[(9bs,11r)-7-hydroxy-11-methoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl]oxysulfonyl}acetic acid
C19H21NO7S (407.10386760000006)
2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3s,4s,5s,6r)-2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
7-chloro-4,6-dimethoxy-6'-methyl-4'-[(3-methylbutyl)amino]spiro[1-benzofuran-2,1'-cyclohexan]-3'-ene-2',3-dione
C21H26ClNO5 (407.1499416000001)
(20s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl acetate
C23H21NO6 (407.13688060000004)
(1s,13s,16s)-9-hydroxy-5,14-dimethyl-7-oxo-4,12-dioxa-14-azatetracyclo[11.3.1.0²,¹¹.0³,⁸]heptadeca-2,5,8,10-tetraen-16-yl benzoate
C23H21NO6 (407.13688060000004)
5,6-dimethoxy-4,7-bis(4-methoxyphenyl)-1,3-benzothiazole
C23H21NO4S (407.1191226000001)
(1r,13r,16s)-9-hydroxy-5,14-dimethyl-7-oxo-4,12-dioxa-14-azatetracyclo[11.3.1.0²,¹¹.0³,⁸]heptadeca-2,5,8,10-tetraen-16-yl benzoate
C23H21NO6 (407.13688060000004)
(5s)-1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione
C22H21N3O3S (407.13035560000003)
[(20r)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]acetic acid
C23H21NO6 (407.13688060000004)
({7-hydroxy-11-methoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-8-yl}oxysulfonyl)acetic acid
C19H21NO7S (407.10386760000006)
7,19-dichloro-3,10,14-trimethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene
C23H19Cl2N3 (407.09559540000004)
17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl acetate
C23H21NO6 (407.13688060000004)
{2-hydroxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxyquinolin-8-yl}oxidanesulfonic acid
1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione
C22H21N3O3S (407.13035560000003)
(3r,11ar)-1,7,9-trihydroxy-3-(1h-indol-3-ylmethyl)-8-methoxy-3h,6h,11h,11ah-pyrazino[1,2-b]isoquinolin-4-one
C22H21N3O5 (407.14811360000004)
(2s,10r)-7,19-dichloro-3,10,13-trimethyl-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),4,6,8,11,14,17,19,21-nonaene
C23H19Cl2N3 (407.09559540000004)