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Ligand

NameCHEMBL3954641
Molecular formulaC27H26ClF2N3O3
IUPAC name(3R,4R,5S,7aR)-4-[(E)-2-[5-(2-chlorophenyl)pyridin-2-yl]ethenyl]-6,6-difluoro-3,5-dimethyl-7a-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3a,4,5,7-tetrahydro-3H-2-benzofuran-1-one
Molecular weight513.97
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.8
SynonymsBDBM230694
US9340530, 28
Inchi KeyAKZYFUACLBVPMK-LWMBWWQGSA-N
Inchi IDInChI=1S/C27H26ClF2N3O3/c1-15-20(11-10-19-9-8-18(13-31-19)21-6-4-5-7-22(21)28)24-16(2)35-25(34)26(24,14-27(15,29)30)12-23-33-32-17(3)36-23/h4-11,13,15-16,20,24H,12,14H2,1-3H3/b11-10+/t15-,16+,20-,24?,26+/m0/s1
PubChem CID127053962
ChEMBLCHEMBL3954641
IUPHARN/A
BindingDB230694
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536177Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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