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Ligand

NameCHEMBL3930467
Molecular formulaC25H24F2N2O3
IUPAC name2-[6-[(E)-2-[(3R,4R,5S,7aR)-6,6-difluoro-7a-(hydroxymethyl)-3,5-dimethyl-1-oxo-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile
Molecular weight438.475
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM230677
US9340530, 15
Inchi KeyAAVXEGLARHDOAX-SATMQZBVSA-N
Inchi IDInChI=1S/C25H24F2N2O3/c1-15-20(22-16(2)32-23(31)24(22,14-30)13-25(15,26)27)10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28/h3-10,12,15-16,20,22,30H,13-14H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1
PubChem CID127053950
ChEMBLCHEMBL3930467
IUPHARN/A
BindingDB230677
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535927Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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