Exact Mass: 407.1191
Exact Mass Matches: 407.1191
Found 314 metabolites which its exact mass value is equals to given mass value 407.1191,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Trifluoperazine
Trifluoperazine is only found in individuals that have used or taken this drug. It is a phenothiazine with actions similar to chlorpromazine. It is used as an antipsychotic and an antiemetic. [PubChem]Trifluoperazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics KEIO_ID T122; [MS2] KO009263 KEIO_ID T122
Cefzil
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
Anlotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Sitagliptin
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
8-Carboxymethyldihydrochelerythrine is found in fruits. 8-Carboxymethyldihydrochelerythrine is an alkaloid reported to occur in Zanthoxylum simulans (Szechuan pepper
Erysothiopine
Erysothiopine is found in green vegetables. Erysothiopine is an alkaloid from the seeds of Erythrina glauca (gallito
5-Hydroxy, 6-methoxy duloxetine sulfate
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
N-[2-[(2-Oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
Anlotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Dansyl-L-arginine
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
rac-Sitagliptin
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
Terutroban
(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
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
JTE-013
Sitagliptin
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].
trifluoperazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
PharmaGSID_48506
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
Cys Asp Asn Gly
Cys Gly Asp Asn
Cys Gly Asn Asp
Cys Gly Gln Thr
Cys Gly Thr Gln
Cys Asn Ala Thr
Cys Asn Asp Gly
Cys Asn Gly Asp
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
Asp Cys Asn Gly
Asp Gly Cys Asn
Asp Gly Asn Cys
Asp Asn Cys Gly
Asp Asn Gly Cys
Gly Cys Asp Asn
Gly Cys Asn Asp
Gly Cys Gln Thr
Gly Cys Thr Gln
Gly Asp Cys Asn
Gly Asp Asn Cys
Gly Met Asn Ser
Gly Met Ser Asn
Gly Asn Cys Asp
Gly Asn Asp Cys
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
Asn Cys Gly Asp
Asn Cys Thr Ala
Asn Asp Cys Gly
Asn Asp Gly Cys
Asn Gly Cys Asp
Asn Gly Asp Cys
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 Ser Ser Thr
Asn Ser Thr Ser
Asn Thr Ala Cys
Asn Thr Cys Ala
Asn Thr Ser Ser
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 Ser Ser Ser
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 Asn Ser Thr
Ser Asn Thr Ser
Ser Gln Ala Cys
Ser Gln Cys Ala
Ser Gln Ser Ser
Ser Ser Asn Thr
Ser Ser Gln Ser
Ser Ser Ser Gln
Ser Ser Thr Asn
Ser Thr Asn Ser
Ser Thr Ser Asn
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 Asn Ser Ser
Thr Gln Cys Gly
Thr Gln Gly Cys
Thr Ser Asn Ser
Thr Ser Ser Asn
8-Carboxymethyldihydrochelerythrine
Erysothiopine
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
Ezetimibe Ketone
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
(4-CHLORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
3-[4-(Methylsulfonyl)phenyl]-5-(1-Boc-4-piperidyl)-1,2,4-oxadiazole
1-NAPTHALENEPROPANOIC ACID, 6-(((4-CHLOROPHENYL)SULFONYL)AMINO)-5,6,7,8-TETRAHYDRO-2-METHYL
Benzenesulfonic acid, 4-[4-[[4-(dimethylamino) phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt
(3-CHLORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
(3-(3,4-DIMETHYL-9-OXO-9H-THIOXANTHEN-2- YLOXY)-2-OH-PROPYL)TRI-ME-AMMON CL 97
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
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.
4-(2-BROMOPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLICACIDDIETHYLESTER
4,11-diamine-2-[3-(1-methylethoxy)propyl]-1H-naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
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
(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
Inavolisib
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
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
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-arginine
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
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].
N-(1,3-benzodioxol-5-ylmethyl)-3-cyclopentyl-2,4-dioxo-1H-quinazoline-7-carboxamide
5-(4-Morpholinyl)-6-nitro-2-(5,6,7,8-tetrahydronaphthalen-1-yl)isoindole-1,3-dione
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide
{4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol
(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
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
2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid
7-(4-chlorophenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
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
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-3-phenylquinazolin-4-one
4-(2,5-dioxo-1-pyrrolidinyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide
N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)acetamide
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
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
N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
6,7-dimethoxy-2-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one
5-[4-[Methyl-[(3-methyl-2-thiophenyl)methyl]amino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester
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
maremycin G
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
methyl 8-[(2E)-2-[[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylidene]hydrazinyl]-8-oxooctanoate
(4E)-4-[[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
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
1-(2,6-Dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosaminyl group
An N-acetyl-D-galactosaminyl group obtained by removing the hydroxy group from the hemiacetal function of N-acetyl-beta-D-glucosaminyl-1,3-N-acetyl-D-galactosamine.
N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosaminyl group
N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosaminyl group with alpha-configuration at the reducing-end anomeric centre.
LY2795050
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
(5s,6s)-1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione
(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
(3r,11ar)-1,7,9-trihydroxy-3-(3h-indol-2-ylmethyl)-8-methoxy-3h,6h,11h,11ah-pyrazino[1,2-b]isoquinolin-4-one
5-({1,4-bis[(4-hydroxyphenyl)methyl]imidazol-2-yl}amino)-2-hydroxy-3-methyl-5h-imidazol-4-one
1(P-hydroxyphenyl)-1-(O-acetyl)prop-2-ene
{"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"}
