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Ligand

NameCHEMBL3702413
Molecular formulaC17H15IN4O2
IUPAC name2-[4-(hydroxymethyl)imidazol-1-yl]-9-iodo-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
Molecular weight434.237
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP0.8
SynonymsSCHEMBL15487471
US8853203, 65
BDBM136010
Inchi KeyBKOPYRHLBQSOIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H15IN4O2/c18-14-3-1-2-13-12(14)4-5-22-15(13)6-16(19-7-17(22)24)21-8-11(9-23)20-10-21/h1-3,6,8,10,23H,4-5,7,9H2
PubChem CID89979743
ChEMBLCHEMBL3702413
IUPHARN/A
BindingDB136010
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
459441Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
459442Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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