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Ligand

NameCHEMBL3909563
Molecular formulaC25H23ClF2N2O2
IUPAC name2-[(1R,3aR,6S,7R)-7-[(E)-2-[5-(2-chlorophenyl)pyridin-2-yl]ethenyl]-5,5-difluoro-1,6-dimethyl-3-oxo-4,6,7,7a-tetrahydro-1H-2-benzofuran-3a-yl]acetonitrile
Molecular weight456.918
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM230691
US9340530, 25
Inchi KeyBFIIOBKKPXNIRP-NMPKDNOQSA-N
Inchi IDInChI=1S/C25H23ClF2N2O2/c1-15-19(22-16(2)32-23(31)24(22,11-12-29)14-25(15,27)28)10-9-18-8-7-17(13-30-18)20-5-3-4-6-21(20)26/h3-10,13,15-16,19,22H,11,14H2,1-2H3/b10-9+/t15-,16+,19-,22?,24+/m0/s1
PubChem CID127053959
ChEMBLCHEMBL3909563
IUPHARN/A
BindingDB230691
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
536556Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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