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Ligand

NameCHEMBL198473
Molecular formulaC26H28FNO2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(2-fluorophenyl)pyridin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight405.513
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50173438
(3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(2-Fluoro-phenyl)-pyridin-2-yl]-vinyl}-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyACTVHPZIQJJNFW-ALOJTJLXSA-N
Inchi IDInChI=1S/C26H28FNO2/c1-16-25-22(20-7-3-2-6-17(20)14-23(25)26(29)30-16)13-12-19-11-10-18(15-28-19)21-8-4-5-9-24(21)27/h4-5,8-13,15-17,20,22-23,25H,2-3,6-7,14H2,1H3/b13-12+/t16-,17+,20-,22+,23-,25+/m1/s1
PubChem CID9844209
ChEMBLCHEMBL198473
IUPHARN/A
BindingDB50173438
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
1903Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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