Details of the Drug

General Information of Drug (ID: DMCKT3Q)

Drug Name
4-Benzenesulfonyl-1-phenethyl-piperidine
Synonyms CHEMBL148280; 4-Benzenesulfonyl-1-phenethyl-piperidine; ZINC13472072; BDBM50108703; 4-(Phenylsulfonyl)-1-phenethylpiperidine
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) 329.5
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H23NO2S
IUPAC Name
4-(benzenesulfonyl)-1-(2-phenylethyl)piperidine
Canonical SMILES
C1CN(CCC1S(=O)(=O)C2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2S/c21-23(22,18-9-5-2-6-10-18)19-12-15-20(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKey
XFTLHKDSWBEMSE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10991121
ChEBI ID
CHEMBL148280
TTD ID
D0G7LE
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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.