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Ligand

NameCHEMBL2012497
Molecular formulaC25H27Cl2NO2
IUPAC name(3R,3aS,4S,5R,6S,7aR)-4-[(E)-2-[5-(2,3-dichlorophenyl)pyridin-2-yl]ethenyl]-5-ethyl-3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
Molecular weight444.396
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP7.0
SynonymsSCHEMBL8274355
BDBM50380012
Inchi KeyBMBFQWUBOPAWJH-VMYNNPPISA-N
Inchi IDInChI=1S/C25H27Cl2NO2/c1-4-18-14(2)12-21-23(15(3)30-25(21)29)20(18)11-10-17-9-8-16(13-28-17)19-6-5-7-22(26)24(19)27/h5-11,13-15,18,20-21,23H,4,12H2,1-3H3/b11-10+/t14-,15+,18+,20-,21+,23-/m0/s1
PubChem CID59110452
ChEMBLCHEMBL2012497
IUPHARN/A
BindingDB50380012
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
27273Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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