HYODEOXYCHOLIC_ACID

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7A33Y6EHYK

Structure
InChI Key DGABKXLVXPYZII-SIBKNCMHSA-N
Smile C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H40O4
Molecular Weight 392.58
AlogP 4.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 77.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST LXR-alpha agonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Steroid-like ligand receptor
31600 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypercholesterolemia 1 D006937 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 52023
ChEMBL CHEMBL272621
DrugBank DB11789
FDA SRS 7A33Y6EHYK
SureChEMBL SCHEMBL207643
ZINC ZINC000003918159
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