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Ligand

NameCHEMBL2114428
Molecular formulaC22H28ClN3O3
IUPAC name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(2-oxo-3-phenylpropoxy)benzamide
Molecular weight417.934
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsXIKNRONEPQCKTI-UHFFFAOYSA-N
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-phenyl-2-propanon-1-yl)oxybenzamide
4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-phenyl-2- propanon-1-yl)oxybenzamide
BDBM50452526
Inchi KeyXIKNRONEPQCKTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28ClN3O3/c1-3-26(4-2)11-10-25-22(28)18-13-19(23)20(24)14-21(18)29-15-17(27)12-16-8-6-5-7-9-16/h5-9,13-14H,3-4,10-12,15,24H2,1-2H3,(H,25,28)
PubChem CID14116896
ChEMBLCHEMBL2114428
IUPHARN/A
BindingDB50452526
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
392678D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
392679D(2) dopamine receptorQ9GJU1DRD2Canis lupus familiaris (Dog)443

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