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Ligand

NameCHEMBL273921
Molecular formulaC24H27FN4O2
IUPAC name2-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
Molecular weight422.504
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50125260
2-[2-[4-(2-Oxo-5-fluoro-2,3-dihydro-1H-benzimidazole-1-yl)piperidino]ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-1-one
2-[2-[4-(5-fluoro-2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]ethyl]-2,3,4,5-tetrahydro-1h-2-benzazepin-1-one
2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-ethyl}-2,3,4,5-tetrahydro-benzo[c]azepin-1-one
Inchi KeyKOTITFQGTVUMBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31)
PubChem CID9888494
ChEMBLCHEMBL273921
IUPHARN/A
BindingDB50125260
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: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1743675-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1743705-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1743665-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1743755-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1743695-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1743645-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1743745-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1743775-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1743655-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1743735-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1743725-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1743715-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
1743765-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
174363D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
174378D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
174379D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
174368D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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