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Ligand

NameCHEMBL94784
Molecular formulaC17H23ClN4O4S
IUPAC name[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 6-chloro-1H-benzimidazole-4-carboxylate
Molecular weight414.905
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50105647
3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic acid 1-(2-methanesulfonylamino-ethyl)-piperidin-4-ylmethyl ester
6-Chloro-1H-benzimidazole-4-carboxylic acid 1-[2-(methylsulfonylamino)ethyl]piperidine-4-ylmethyl ester
6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-(2-methanesulfonylamino-ethyl)-piperidin-4-ylmethyl ester
Inchi KeyAEBKPXVIRQPQRB-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
PubChem CID15544728
ChEMBLCHEMBL94784
IUPHARN/A
BindingDB50105647
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
33015-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406

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