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Ligand

NameCHEMBL2063140
Molecular formulaC27H50O
IUPAC name(1S)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethyl]-4-methylcyclohexan-1-ol
Molecular weight390.696
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP10.0
SynonymsN/A
Inchi KeyAJPYMSBMJSHYEA-ITLXEDBLSA-N
Inchi IDInChI=1S/C27H50O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h19-26,28H,6-18H2,1-5H3/t20?,21-,22?,23?,24+,25-,26+,27-/m1/s1
PubChem CID16127573
ChEMBLCHEMBL2063140
IUPHARN/A
BindingDBN/A
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
7117Smoothened homologQ99835SMOHomo sapiens (Human)787

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