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Ligand

NameCHEMBL387638
Molecular formulaC24H20ClFN8O
IUPAC nameN-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
Molecular weight490.927
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50157511
N-(4-chloro-2-{(R)-1-[3''-fluoro-2''-(2-methyl-2H-tetrazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide
Inchi KeyOMBKLIDWTOUDSR-CQSZACIVSA-N
Inchi IDInChI=1S/C24H20ClFN8O/c1-14(29-24-22(18(25)11-13-28-24)30-20(35)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)23-31-33-34(2)32-23/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,35)/t14-/m1/s1
PubChem CID11225601
ChEMBLCHEMBL387638
IUPHARN/A
BindingDB50157511
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
244809B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352
244810B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
244811B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337

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