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Ligand

NameCHEMBL436130
Molecular formulaC27H31NO2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-[5-(2-methylphenyl)pyridin-2-yl]ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight401.55
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.5
SynonymsBDBM50173410
(3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-[(E)-2-(5-o-tolyl-pyridin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyBQGPQWKNFRIWCM-OFOKSQAISA-N
Inchi IDInChI=1S/C27H31NO2/c1-17-7-3-5-9-22(17)20-11-12-21(28-16-20)13-14-24-23-10-6-4-8-19(23)15-25-26(24)18(2)30-27(25)29/h3,5,7,9,11-14,16,18-19,23-26H,4,6,8,10,15H2,1-2H3/b14-13+/t18-,19+,23-,24+,25-,26+/m1/s1
PubChem CID11567556
ChEMBLCHEMBL436130
IUPHARN/A
BindingDB50173410
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
30268Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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