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Ligand

NameCHEMBL371751
Molecular formulaC26H28ClNO2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-[5-(4-chlorophenyl)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 weight421.965
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.7
Synonyms(3R,3aS,4S,4aR,8aS,9aR)-4-{(E)-2-[5-(4-Chloro-phenyl)-pyridin-2-yl]-vinyl}-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
BDBM50173432
Inchi KeyAPCDHORXRPILDB-NWLSSWCYSA-N
Inchi IDInChI=1S/C26H28ClNO2/c1-16-25-23(22-5-3-2-4-18(22)14-24(25)26(29)30-16)13-12-21-11-8-19(15-28-21)17-6-9-20(27)10-7-17/h6-13,15-16,18,22-25H,2-5,14H2,1H3/b13-12+/t16-,18+,22-,23+,24-,25+/m1/s1
PubChem CID11502697
ChEMBLCHEMBL371751
IUPHARN/A
BindingDB50173432
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
10842Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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