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Ligand

NameCHEMBL234296
Molecular formulaC22H22F4N4O
IUPAC nameN-[2-[[4-cyano-4-(2-fluorophenyl)cyclohexyl]methylamino]pyridin-3-yl]-3,3,3-trifluoropropanamide
Molecular weight434.439
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50210372
N-(2-((4-cyano-4-(2-fluorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide
Inchi KeyBNJMGZZJFFELEK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22F4N4O/c23-17-5-2-1-4-16(17)21(14-27)9-7-15(8-10-21)13-29-20-18(6-3-11-28-20)30-19(31)12-22(24,25)26/h1-6,11,15H,7-10,12-13H2,(H,28,29)(H,30,31)
PubChem CID44430681
ChEMBLCHEMBL234296
IUPHARN/A
BindingDB50210372
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
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GLASS IDNameUniProtGeneSpeciesLength
28179B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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