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Ligand

NameCHEMBL3924976
Molecular formulaC29H33F2N3O2
IUPAC name2-[6-[(E)-2-[(3R,3aS,4R,5S,7aS)-7a-(2,2-dimethylpropylamino)-6,6-difluoro-3,5-dimethyl-1-oxo-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile
Molecular weight493.599
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM230716
US9340530, 51
Inchi KeyBSXLJZAECXQNKG-TYMWWQAPSA-N
Inchi IDInChI=1S/C29H33F2N3O2/c1-18-23(13-12-22-11-10-21(15-33-22)24-9-7-6-8-20(24)14-32)25-19(2)36-26(35)28(25,16-29(18,30)31)34-17-27(3,4)5/h6-13,15,18-19,23,25,34H,16-17H2,1-5H3/b13-12+/t18-,19+,23-,25-,28-/m0/s1
PubChem CID71736052
ChEMBLCHEMBL3924976
IUPHARN/A
BindingDB230716
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
536820Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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