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Ligand

NameCHEMBL404886
Molecular formulaC25H16FN5O2
IUPAC name8-[2-(4-fluorophenyl)ethynyl]-7-hydroxy-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
Molecular weight437.434
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsSCHEMBL7139785
8-(4-Fluoro-phenylethynyl)-7-hydroxy-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
BDBM50372868
Inchi KeyHHKGHOHNMXZGJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H16FN5O2/c26-19-8-5-16(6-9-19)4-7-18-13-22-23(14-24(18)32)28-21(15-25(33)29-22)17-2-1-3-20(12-17)31-11-10-27-30-31/h1-3,5-6,8-14,32H,15H2,(H,29,33)
PubChem CID135544097
ChEMBLCHEMBL404886
IUPHARN/A
BindingDB50372868
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
560843Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
560844Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
560845Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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