GLYCOCHOLIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G59NX3I3RT

Structure
InChI Key RFDAIACWWDREDC-FRVQLJSFSA-N
Smile C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
InChI
InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H43NO6
Molecular Weight 465.63
AlogP 2.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 127.09
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

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
13600 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - -

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 475-31-0
ChEBI 17687
ChEMBL CHEMBL411070
EPA CompTox DTXSID2047436
FDA SRS G59NX3I3RT
Guide to Pharmacology 4544
KEGG C01921
PDB GCH
PubChem 10140
SureChEMBL SCHEMBL29022
ZINC ZINC000008143774
CONTENTS