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Ligand

NameCHEMBL388031
Molecular formulaC22H21F5N4O
IUPAC nameN-[2-[[4-cyano-4-(2,3-difluorophenyl)cyclohexyl]methylamino]pyridin-3-yl]-3,3,3-trifluoropropanamide
Molecular weight452.429
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50210370
N-(2-((4-cyano-4-(2,3-difluorophenyl)cyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide
Inchi KeyBUYHJEVHIOXVSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F5N4O/c23-16-4-1-3-15(19(16)24)21(13-28)8-6-14(7-9-21)12-30-20-17(5-2-10-29-20)31-18(32)11-22(25,26)27/h1-5,10,14H,6-9,11-12H2,(H,29,30)(H,31,32)
PubChem CID44430686
ChEMBLCHEMBL388031
IUPHARN/A
BindingDB50210370
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
33447B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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