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

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.