JN3

CHENODEOXYCHOLIC ACID

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is present as a standalone ligand in 7 entries

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Chemical Component Summary
Name	CHENODEOXYCHOLIC ACID
Synonyms	(3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID
Identifiers	(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Formula	C₂₄ H₄₀ O₄
Molecular Weight	392.572
Type	NON-POLYMER
Isomeric SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI	InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey	RUDATBOHQWOJDD-BSWAIDMHSA-N

Chemical Details
Formal Charge	0
Atom Count	68
Chiral Atom Count	10
Bond Count	71
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB06777
Name	Chenodeoxycholic acid
Groups	approved
Description	Chenodeoxycholic acid (or Chenodiol) is an epimer of ursodeoxycholic acid (DB01586). Chenodeoxycholic acid is a bile acid naturally found in the body. It works by dissolving the cholesterol that makes gallstones and inhibiting production of cholesterol in the liver and absorption in the intestines, which helps to decrease the formation of gallstones. It can also reduce the amount of other bile acids that can be harmful to liver cells when levels are elevated.
Synonyms	3alpha,7alpha-Dihydroxy-5beta-cholanic acid Chenodeoxycholic acid Gallodesoxycholic acid Chenic acid Anthropodesoxycholic acid CDCA Acide chenodeoxycholique Acidum chenodeoxycholicum Chenodesoxycholic acid Acido chenodeoxicholico Chenocholic acid Chenodeoxycholate Anthropodeoxycholic acid 7α-hydroxylithocholic acid Chenodiol
Brand Names	Chenodeoxycholic Acid Leadiant Chenodal Chenodiol
Indication	Chenodiol is indicated for patients with radiolucent stones in well-opacifying gallbladders, in whom selective surgery would be undertaken except for the presence of increased surgical risk due to systemic disease or age. Chenodiol will not dissolve calcified (radiopaque) or radiolucent bile pigment stones.
Categories	Alimentary Tract and Metabolism Bile Acid Preparations Bile acids and derivatives Bile Acids and Salts Bile and Liver Therapy Bile Therapy Cholanes Cholic Acids Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Fused-Ring Compounds Gastrointestinal Agents Steroids UGT2B7 Inhibitors
ATC-Code	A05AA01
CAS number	474-25-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Bile acid receptor	MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQN...	unknown	other
Nuclear receptor subfamily 1 group I member 2	MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...	unknown
G-protein coupled bile acid receptor 1	MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPA...	unknown
Aldo-keto reductase family 1 member C2	MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHID...	unknown	substrate
Sterol 26-hydroxylase, mitochondrial	MAALGCARLRWALRGAGRGLCPHGARAKAAIPAALPSDKATGAPGAGPGV...	unknown	substrate
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
UDP-glucuronosyltransferase 2B7	MSVKWTSVILLIQLSFCFSSGNCGKVLVWAAEYSHWMNIKTILDELIQRG...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682