Details of the Drug

General Information of Drug (ID: DM9QB0X)

Drug Name
3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
Synonyms CHEMBL1080574; 651335-50-1; 3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole; SCHEMBL4077678; CTK1J9032; DTXSID00437312; BDBM50313128; 1H-Indole, 3-(phenylsulfonyl)-1-(4-piperidinyl)-
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) 340.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H20N2O2S
IUPAC Name
3-(benzenesulfonyl)-1-piperidin-4-ylindole
Canonical SMILES
C1CNCCC1N2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O2S/c22-24(23,16-6-2-1-3-7-16)19-14-21(15-10-12-20-13-11-15)18-9-5-4-8-17(18)19/h1-9,14-15,20H,10-13H2
InChIKey
VDJWPWVFSZYDTQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10246639
CAS Number
651335-50-1
TTD ID
D0C4AE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 6 receptor (HTR6) DTT HTR6 1.23E-05 -0.12 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3-(Arylsulfonyl)-1-(azacyclyl)-1H-indoles are 5-HT(6) receptor modulators. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1657-60.