Details of the Drug
General Information of Drug (ID: DM7OKQV)
Drug Name |
Cholic Acid
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Synonyms |
cholic acid; 81-25-4; Cholalic acid; cholate; Cholalin; Colalin; Cholsaeure; NSC-6135; Cholic acid, 5beta-; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid; UNII-G1JO7801AE; HSDB 982; (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; Cholic acid [USAN]; 3,7,12-Trihydroxycholanic acid; G1JO7801AE; CHEMBL205596; CHEBI:16359; NSC6135; BHQCQFFYRZLCQQ-OELDTZBJSA-N
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Indication |
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Drug Type |
Small molecular drug
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Structure | |||||||||||||||||||||||||||||||
3D MOL | 2D MOL | ||||||||||||||||||||||||||||||
#Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 408.6 | |||||||||||||||||||||||||||||
Logarithm of the Partition Coefficient (xlogp) | 3.6 | ||||||||||||||||||||||||||||||
Rotatable Bond Count (rotbonds) | 4 | ||||||||||||||||||||||||||||||
Hydrogen Bond Donor Count (hbonddonor) | 4 | ||||||||||||||||||||||||||||||
Hydrogen Bond Acceptor Count (hbondacc) | 5 | ||||||||||||||||||||||||||||||
Chemical Identifiers |
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Cross-matching ID | |||||||||||||||||||||||||||||||
Combinatorial Drugs (CBD) | Click to Jump to the Detailed CBD Information of This Drug | ||||||||||||||||||||||||||||||
Repurposed Drugs (RPD) | Click to Jump to the Detailed RPD Information of This Drug | ||||||||||||||||||||||||||||||
Molecular Interaction Atlas of This Drug
Drug Therapeutic Target (DTT) |
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Drug Transporter (DTP) |
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Drug-Metabolizing Enzyme (DME) |
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Drug Off-Target (DOT) |
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Molecular Interaction Atlas (MIA) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Molecular Expression Atlas of This Drug
The Studied Disease | Cholelithiasis | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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ICD Disease Classification | DC11 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Molecular Expression Atlas (MEA) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug
References
1 | Cholic acid FDA Label | ||||
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2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 609). | ||||
3 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | ||||
4 | Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter. Am J Physiol. 1998 Jan;274(1):G157-69. | ||||
5 | Multiple pathways for fluoroquinolone secretion by human intestinal epithelial (Caco-2) cells. Br J Pharmacol. 2002 Mar;135(5):1263-75. | ||||
6 | Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007. | ||||
7 | Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver. Gastroenterology. 1995 Oct;109(4):1274-82. | ||||
8 | Characterization of the role of ABCG2 as a bile acid transporter in liver and placenta. Mol Pharmacol. 2012 Feb;81(2):273-83. | ||||
9 | Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81. | ||||
10 | Kinetic analysis of bile acid sulfation by stably expressed human sulfotransferase 2A1 (SULT2A1). Xenobiotica. 2010 Mar;40(3):184-94. | ||||
11 | Potency of individual bile acids to regulate bile acid synthesis and transport genes in primary human hepatocyte cultures. Toxicol Sci. 2014 Oct;141(2):538-46. doi: 10.1093/toxsci/kfu151. Epub 2014 Jul 23. | ||||
12 | The farnesoid X receptor controls gene expression in a ligand- and promoter-selective fashion. J Biol Chem. 2004 Mar 5;279(10):8856-61. doi: 10.1074/jbc.M306422200. Epub 2003 Dec 18. | ||||
13 | Acetylated deoxycholic (DCA) and cholic (CA) acids are potent ligands of pregnane X (PXR) receptor. Toxicol Lett. 2017 Jan 4;265:86-96. | ||||