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Ligand

NameCHEMBL3644417
Molecular formulaC20H22N4O2
IUPAC name9-(1-methoxyethyl)-2-(1-methylpyrazol-3-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
Molecular weight350.422
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.5
SynonymsBDBM136128
SCHEMBL15488212
9-(1-methoxyethyl)-2-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydro-[1,4]diazepino[7,1-a]isoquinolin-5(4H)-one
US8853203, 47
AXDXFTQUQRRHCN-UHFFFAOYSA-N
Inchi KeyAXDXFTQUQRRHCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O2/c1-13(26-3)14-5-4-6-16-15(14)7-10-24-19(16)11-18(21-12-20(24)25)17-8-9-23(2)22-17/h4-6,8-9,11,13H,7,10,12H2,1-3H3
PubChem CID89980374
ChEMBLCHEMBL3644417
IUPHARN/A
BindingDB136128
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517410Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
464934Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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