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Ligand

NameCHEMBL219211
Molecular formulaC19H22BrN3O2
IUPAC nameN-(4-bromo-2-methylphenyl)-2-[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]acetamide
Molecular weight404.308
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL4003592
BDBM50200039
N-(2-methyl-4-bromophenyl)-2-(1-oxy-3'',4'',5'',6''-tetrahydro-2''H-[2,4''-bipyridine]-1''-yl)acetamide
Inchi KeyAPIXWEBCJZXAKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22BrN3O2/c1-14-12-16(20)5-6-17(14)21-19(24)13-22-10-7-15(8-11-22)18-4-2-3-9-23(18)25/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)
PubChem CID10024158
ChEMBLCHEMBL219211
IUPHARN/A
BindingDB50200039
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11031D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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