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Ligand

NameCHEMBL1629865
Molecular formulaC22H16F3N3O
IUPAC name4-[3-(2-methylpyridin-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Molecular weight395.385
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50333000
DFWDFOZNVALGES-UHFFFAOYSA-N
4-[3-(2-Methyl-pyridin-4-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro benzo[b][1,4]diazepin-2-one
SCHEMBL5563741
4-(3-(2-methylpyridin-4-yl)phenyl)-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
Inchi KeyDFWDFOZNVALGES-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H16F3N3O/c1-13-9-15(7-8-26-13)14-3-2-4-16(10-14)19-12-21(29)28-20-11-17(22(23,24)25)5-6-18(20)27-19/h2-11H,12H2,1H3,(H,28,29)
PubChem CID11211597
ChEMBLCHEMBL1629865
IUPHARN/A
BindingDB50333000
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
58963Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
58964Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
58962Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879

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