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]
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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: 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: CHEBI:31459
CAS Number: 81-23-2
TTD ID: D02ARR

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Dehydrogenase/reductase SDR family member 11 (DHRS11)	OTU3J0ZL	DHR11_HUMAN	Biotransformations	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.