obeticholic acid (ocaliva) Report issue

Small molecule Orphan Drug FDA Approved FDA First in Class Fast Track FDA Accelerated Approval FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

420.6252

ALogP

5.11

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14
  • InChIKey: ZXERDUOLZKYMJM-ZWECCWDJSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL566315   ChEMBL
obeticholic acid

0462Z4S4OZ   NCATS
obeticholic acid *

Obeticholic acid   Wikipedia

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