Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00615
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| Drug Name |
Chenodeoxycholic acid
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| Synonyms |
(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid; (3alpha,5beta,7beta,8xi)-3,7-dihydroxycholan-24-oic acid; (4R)-4-[(3R,5S,7S,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; 17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3-alpha,7-beta-diol; 3 alpha,7 beta-Dihydroxy-5 beta-cholan-24-oic Acid; 3,7-Dihydroxycholan-24-oic acid; 3-alpha,7-beta-Dihydroxy-5-beta-cholanoic acid; 3-alpha,7-beta-Dihydroxycholanic acid; 3-alpha,7-beta-Dioxycholanic acid; 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta-Dihydroxy-5beta-cholanic acid; 5beta-Cholan-24-oic acid-3alpha,7beta-diol; 5beta-Cholanic Acid-3alpha,7beta-diol; 7-beta-Hydroxylithocholic acid; 7beta-Hydroxylithocholic acid; Acide ursodesoxycholique; Acide ursodesoxycholique [INN-French]; Acido ursodeossicolico; Acido ursodeossicolico [Italian]; Acido ursodeoxicolico; Acido ursodeoxicolico [INN-Spanish]; Acidum ursodeoxycholicum; Acidum ursodeoxycholicum [INN-Latin]; Actigall; Actigall (TN); Antigall; Arsacol; Chenodeoxycholic acid; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-beta)-(9CI); Cholit-ursan; Delursan; Deoxyursocholic Acid; Destolit; Deursil; Deursil (TN); Dom-ursodiol c; ISO-URSODEOXYCHOLIC ACID; IU5; Litursol; Lyeton; PHL-ursodiol c; PMS-ursodiol c; Peptarom; Sodium Ursodeoxycholate; Solutrat; U-9000; U0030; UDCA;UDCS; UrSO; Urosiol; Ursacholic Acid; Ursacol; Urso (TN); Urso 250; Urso DS; Urso Forte; Urso Forte (TN); Ursobilin; Ursochol; Ursodamor; Ursodeoxy cholic acid; Ursodeoxycholate; Ursodeoxycholic acid (JP15/INN); Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv, Ursodiol; Ursodesoxycholicacid; Ursodexycholic Acid; Ursodiol; Ursodiol (USP); Ursodiol [USAN]; Ursofalk; Ursolvan; Ursosan; Ursosan (TN)
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| Drug Type |
Small molecular drug
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| Indication | Primary biliary cirrhosis [ICD11:DB96.1] | Approved | [1] | |||
| Therapeutic Class |
Cholagogues and Choleretics
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C24H40O4
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| Canonical SMILES |
CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
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| 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
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| InChIKey |
RUDATBOHQWOJDD-UZVSRGJWSA-N
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| CAS Number |
CAS 128-13-2
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| Pharmaceutical Properties | Molecular Weight | 392.6 | Topological Polar Surface Area | 77.8 | ||
| Heavy Atom Count | 28 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
4.9
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| PubChem CID | ||||||
| PubChem SID |
10082
,102851587
,103578669
,103913836
,104169985
,104253279
,104310778
,11433256
,11466986
,11468106
,11486841
,11532904
,121362367
,121363593
,124757400
,124800594
,125085062
,125164204
,14718187
,14756614
,14780856
,24900651
,29204656
,3138790
,34673541
,46508795
,47193720
,47217051
,47515582
,47885649
,48110725
,48185236
,48416690
,49699224
,49748670
,49902961
,50124074
,53788379
,57311214
,78337565
,7847799
,7850921
,7888488
,7980868
,8172159
,822713
,87577760
,92125922
,92717068
,99431529
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| ChEBI ID |
ChEBI:9907
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [2] | |
| References | ||||||
| 1 | Chenodeoxycholic acid was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Transport of fluorescent chenodeoxycholic acid via the human organic anion transporters OATP1B1 and OATP1B3. J Lipid Res. 2006 Jun;47(6):1196-202. | |||||
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