Details of the Drug

General Information of Drug (ID: DMA7LEO)

Drug Name
4-(4-methoxy-1H-indol-1-ylsulfonyl)benzenamine
Synonyms CHEMBL379273; 4-(4-methoxy-1H-indol-1-ylsulfonyl)benzenamine
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) 302.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H14N2O3S
IUPAC Name
4-(4-methoxyindol-1-yl)sulfonylaniline
Canonical SMILES
COC1=CC=CC2=C1C=CN2S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H14N2O3S/c1-20-15-4-2-3-14-13(15)9-10-17(14)21(18,19)12-7-5-11(16)6-8-12/h2-10H,16H2,1H3
InChIKey
ITHFAYACRWTMMR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44413494
TTD ID
D0D2XH

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 methoxy-substituted N1-benzenesulfonylindole analogs at human 5-HT6 serotonin receptors. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3793-6.