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Ligand

NameCHEMBL126883
Molecular formulaC21H25NO4S
IUPAC nameethyl 1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate
Molecular weight387.494
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
Synonyms4-Phenyl-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid ethyl ester
1-[(4-Methylphenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid ethyl ester
BDBM50001385
Inchi KeyDLMIXKIRUDXSFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO4S/c1-3-26-20(23)21(18-7-5-4-6-8-18)13-15-22(16-14-21)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
PubChem CID10452813
ChEMBLCHEMBL126883
IUPHARN/A
BindingDB50001385
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
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GLASS IDNameUniProtGeneSpeciesLength
63103Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388

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