Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M4WA
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| Former ID |
DIB018023
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| Drug Name |
obeticholic acid
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| Synonyms |
INT747; INT-747; 6-ethylchenodeoxycholic acid; 6-ECDCA; OCA; 6-Et CDCA
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| Drug Type |
Small molecular drug
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| Indication | Primary biliary cholangitis [ICD-11: DB96.1] | Approved | [1] | |
| Insomnia [ICD-11: 7A00-7A0Z] | Clinical trial | [2] | ||
| Company |
Intercept
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| Structure |
 |
Download2D MOL
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| Formula |
C26H44O4
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| Canonical SMILES |
CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O
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| InChI |
1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
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| InChIKey |
ZXERDUOLZKYMJM-ZWECCWDJSA-N
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| CAS Number |
CAS 459789-99-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
828938, 828951, 7886586, 7888489, 10300105, 14880306, 16101459, 17396626, 36889785, 46392814, 49700782, 53789454, 57404826, 76486275, 96026040, 103700141, 104638392, 123055342, 126680398, 135263637, 163122223, 175265866, 176236560, 178100437, 204383201, 219813737, 223670674, 224721644, 227005340, 251970994, 252300974, 252553933
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| ChEBI ID |
CHEBI:43602
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| ADReCS Drug ID | BADD_D01592 | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Farnesoid X-activated receptor (FXR) | Target Info | Modulator | [1] |
| KEGG Pathway | Bile secretion | |||
| Pathway Interaction Database | RXR and RAR heterodimerization with other nuclear receptor | |||
| Reactome | Recycling of bile acids and salts | |||
| PPARA activates gene expression | ||||
| Endogenous sterols | ||||
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | |||
| Nuclear Receptors Meta-Pathway | ||||
| Farnesoid X Receptor Pathway | ||||
| Drug Induction of Bile Acid Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 2016 FDA drug approvals. Nat Rev Drug Discov. 2017 Feb 2;16(2):73-76. | |||
| REF 2 | Nuclear receptors and lipid physiology: opening the X-files. Science. 2001 Nov 30;294(5548):1866-70. | |||
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