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Ligand

NameCHEMBL68440
Molecular formulaC30H32Cl2N4O2
IUPAC nameN-[2-(3,4-dichlorophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide
Molecular weight551.512
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.5
SynonymsN-{2-(3,4-Dichloro-phenyl)-4-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
SCHEMBL9035669
BDBM50129523
N-[2-(3,4-Dichlorophenyl)-4-[4-(2-oxo-2,3-dihydro-1H-benzimidazole-1-yl)piperidino]butyl]-N-methylbenzamide
Inchi KeyFSVMBYSTSUIRJD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32Cl2N4O2/c1-34(29(37)21-7-3-2-4-8-21)20-23(22-11-12-25(31)26(32)19-22)13-16-35-17-14-24(15-18-35)36-28-10-6-5-9-27(28)33-30(36)38/h2-12,19,23-24H,13-18,20H2,1H3,(H,33,38)
PubChem CID21831101
ChEMBLCHEMBL68440
IUPHARN/A
BindingDB50129523
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
86449Substance-K receptorP21452TACR2Homo sapiens (Human)398
86450Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390

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