Details of the Drug

General Information of Drug (ID: DMACRHS)

Drug Name
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
Synonyms CHEMBL148565; 4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine; BDBM50108708; ZINC13472074; 4-(Phenylsulfonyl)-1-hydrocinnamylpiperidine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 343.5
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H25NO2S
IUPAC Name
4-(benzenesulfonyl)-1-(3-phenylpropyl)piperidine
Canonical SMILES
C1CN(CCC1S(=O)(=O)C2=CC=CC=C2)CCCC3=CC=CC=C3
InChI
InChI=1S/C20H25NO2S/c22-24(23,19-11-5-2-6-12-19)20-13-16-21(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12,20H,7,10,13-17H2
InChIKey
PZLOABUPAFZHAF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10871642
ChEBI ID
CHEMBL148565
TTD ID
D03NRJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 4-(Phenylsulfonyl)piperidines: novel, selective, and bioavailable 5-HT(2A) receptor antagonists. J Med Chem. 2002 Jan 17;45(2):492-503.