Details of the Drug

General Information of Drug (ID: DMDAO5T)

Drug Name
2-(4-(benzenesulfonyl)phenyl)-1-aminoethane
Synonyms CHEMBL213589; 2-(4-(benzenesulfonyl)phenyl)-1-aminoethane; BDBM50193459
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) 261.339
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H15NO2S
IUPAC Name
2-[4-(benzenesulfonyl)phenyl]ethanamine
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CCN
InChI
InChI=1S/C14H15NO2S/c15-11-10-12-6-8-14(9-7-12)18(16,17)13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKey
YNFGKNGJUDQMQL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44414681
TTD ID
D0CY6E

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 Binding of sulfonyl-containing arylalkylamines at human 5-HT6 serotonin receptors. J Med Chem. 2006 Aug 24;49(17):5217-25.