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Ligand

NameCHEMBL3945945
Molecular formulaC25H22F2N6O2
IUPAC name2-[6-[(E)-2-[(3R,4R,5S,7aS)-6,6-difluoro-3,5-dimethyl-1-oxo-7a-(tetrazol-1-yl)-3a,4,5,7-tetrahydro-3H-2-benzofuran-4-yl]ethenyl]pyridin-3-yl]benzonitrile
Molecular weight476.488
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM230696
US9340530, 30
US9340530, 31
Inchi KeyASBBJHWLRMSCCK-SATMQZBVSA-N
Inchi IDInChI=1S/C25H22F2N6O2/c1-15-20(10-9-19-8-7-18(12-29-19)21-6-4-3-5-17(21)11-28)22-16(2)35-23(34)24(22,13-25(15,26)27)33-14-30-31-32-33/h3-10,12,14-16,20,22H,13H2,1-2H3/b10-9+/t15-,16+,20-,22?,24-/m0/s1
PubChem CID127053964
ChEMBLCHEMBL3945945
IUPHARN/A
BindingDB230696
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
536331Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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