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Ligand

NameCHEMBL567770
Molecular formulaC31H50O3
IUPAC name(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-methoxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Molecular weight470.738
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP8.7
SynonymsBDBM50303456
SCHEMBL3787219
3-Methoxylupan-28-oic Acid
Inchi KeyCUILEYPJZZWNHU-JVRMVBBZSA-N
Inchi IDInChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(32)33)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(34-8)27(3,4)22(28)12-15-30(23,29)7/h20-25H,1,9-18H2,2-8H3,(H,32,33)/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
PubChem CID10838116
ChEMBLCHEMBL567770
IUPHARN/A
BindingDB50303456
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50785G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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