Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0D1XG
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| Former ID |
DNC000429
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| Drug Name |
CI-976
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| Synonyms |
CI 976; 114289-47-3; 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide; CI-976; PD 128042; BRN 5831010; CHEMBL22373; UNII-8653IQ20EA; 8653IQ20EA; Dodecanamide,2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)-; Dodecanamide, 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)-; 2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phenyl)-amide; C23H39NO4; ACMC-1CUXF; AC1L3UE4; SCHEMBL691688; CTK4A8660; CHEBI:95040; DTXSID00150690; MolPort-002-018-232; HMS3268D10; HMS3262L19; ZINC8022586; Tox21_500859; BN0150; BDBM50005944; AKOS022180044; LP00859; CCG-222163
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| Drug Type |
Small molecular drug
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| Indication | Hyperlipidaemia [ICD-11: 5C80; ICD-10: E78.5] | Discontinued in Phase 2 | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C23H39NO4
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| Canonical SMILES |
CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC
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| InChI |
1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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| InChIKey |
WAFNZAURAWBNDZ-UHFFFAOYSA-N
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| CAS Number |
CAS 114289-47-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4115926, 10240022, 14903215, 26753242, 29302726, 49964468, 57340083, 77469630, 85789074, 89061200, 90341464, 103190900, 103919368, 104415561, 118273684, 121361683, 124593932, 124891584, 124891585, 125674308, 129552519, 134964463, 135076729, 137095862, 143123997, 162023140, 162248098, 162282272, 162776978, 163564813, 172657955, 175612582, 184536679, 215779447, 226984929, 242083240, 252156373, 252329085
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| ChEBI ID |
CHEBI:95040
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001196) | |||
| REF 2 | Acyl-coenzyme A:cholesterol-acyltransferase (ACAT) inhibitors modulate monocyte adhesion to aortic endothelial cells. Atherosclerosis. 1995 Jan 6;112(1):7-17. | |||
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