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Ligand

NameCHEMBL3964337
Molecular formulaC25H24ClF2N5O2
IUPAC name(3R,4R,5S,7aR)-4-[(E)-2-[5-(2-chlorophenyl)pyridin-2-yl]ethenyl]-6,6-difluoro-3,5-dimethyl-7a-(2H-tetrazol-5-ylmethyl)-3a,4,5,7-tetrahydro-3H-2-benzofuran-1-one
Molecular weight499.947
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM230693
US9340530, 27
Inchi KeyBOXQIKNFMZYQCE-YNSSLRNISA-N
Inchi IDInChI=1S/C25H24ClF2N5O2/c1-14-18(10-9-17-8-7-16(12-29-17)19-5-3-4-6-20(19)26)22-15(2)35-23(34)24(22,13-25(14,27)28)11-21-30-32-33-31-21/h3-10,12,14-15,18,22H,11,13H2,1-2H3,(H,30,31,32,33)/b10-9+/t14-,15+,18-,22?,24+/m0/s1
PubChem CID127053961
ChEMBLCHEMBL3964337
IUPHARN/A
BindingDB230693
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
536735Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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