cholic acid

Ligand id: 609

Name: cholic acid

Abbreviated name: CA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 97.99
Molecular weight 408.29
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Craddock AL, Love MW, Daniel RW, Kirby LC, Walters HC, Wong MH, Dawson PA. (1998)
Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter.
Am. J. Physiol.274 (1 Pt 1): G157-69. [PMID:9458785]
2. Kawamata Y, Fujii R, Hosoya M, Harada M, Yoshida H, Miwa M, Fukusumi S, Habata Y, Itoh T, Shintani Y, Hinuma S, Fujisawa Y, Fujino M. (2003)
A G protein-coupled receptor responsive to bile acids.
J Biol Chem.278: 9435-9440. [PMID:12524422]
3. Maruyama T, Miyamoto Y, Nakamura T, Tamai Y, Okada H, Sugiyama E, Nakamura T, Itadani H, Tanaka K. (2002)
Identification of membrane-type receptor for bile acids (M-BAR).
Biochem Biophys Res Commun.298: 714-719. [PMID:12419312]
4. Meier PJ, Eckhardt U, Schroeder A, Hagenbuch B, Stieger B. (1997)
Substrate specificity of sinusoidal bile acid and organic anion uptake systems in rat and human liver.
Hepatology26 (6): 1667-77. [PMID:9398014]
5. Parks DJ, Blanchard SG, Bledsoe RK, Chandra G, Consler TG, Kliewer SA, Stimmel JB, Willson TM, Zavacki AM, Moore DD, Lehmann JM. (1999)
Bile acids: natural ligands for an orphan nuclear receptor.
Science284 (5418): 1365-8. [PMID:10334993]
6. Wang H, Chen J, Hollister K, Sowers LC, Forman BM. (1999)
Endogenous bile acids are ligands for the nuclear receptor FXR/BAR.
Mol. Cell3 (5): 543-53. [PMID:10360171]