Details of the Drug

General Information of Drug (ID: DMFK8Y9)

Drug Name
Dehydrocholic acid
Synonyms
Sodium dehydrocholate; 145-41-5; DEHYDROCHOLATE SODIUM; Dehydrocholate (sodium); Biliron; Carachol; Dehydrocholic acid sodium salt; UNII-W4193719XR; Suprachol; Biliton; Dycholium; Dilabil sodium; Decholin Sodium; Decholin sodium salt; W4193719XR; Natriumdehydrocholat [German]; Dehydrocholic acid, sodium salt; Sodium 3,7,12-triketocholanate; Natrii dehydrocholas [INN-Latin]; Dehidrocolato sodico [INN-Spanish]; EINECS 205-652-1; 81-23-2 (Parent); Dehydrocholate de sodium [INN-French]; Natriumdehydrocholat; Sodium 3,7,12-trioxo-5-bet
Indication
Disease Entry ICD 11 Status REF
Constipation DD91.1 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C24H34O5
Canonical SMILES
CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
InChI
InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
InChIKey
OHXPGWPVLFPUSM-KLRNGDHRSA-N
Cross-matching ID
PubChem CID
6674
ChEBI ID
CHEMBL31459
CAS Number
81-23-2
UNII
NH5000009I
DrugBank ID
DB11622
TTD ID
D02ARR
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Beta-hydroxysteroid dehydrogenase (hdhB)
Main DME 		DEOMLHG A4ECA9_9ACTN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Dehydrogenase/reductase SDR family member 11 (DHRS11) OTU3J0ZL DHR11_HUMAN Biotransformations [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Identification, cloning, heterologous expression, and characterization of a NADPH-dependent 7beta-hydroxysteroid dehydrogenase from Collinsella aerofaciens. Appl Microbiol Biotechnol. 2011 Apr;90(1):127-35.
3 Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11. Chem Biol Interact. 2019 May 25;305:12-20. doi: 10.1016/j.cbi.2019.03.026. Epub 2019 Mar 26.