Details of the Drug

General Information of Drug (ID: DMJ6FP7)

Drug Name
N-(3-aminophenyl)benzenesulfonamide
Synonyms
N-(3-aminophenyl)benzenesulfonamide; 104997-09-3; Benzenesulfonamide, N-(3-aminophenyl)-; CHEMBL378618; ACMC-20f7rf; 3-phenylsulfonamidoaniline; AC1Q51QH; 3-benzenesulfonylaminoaniline; SCHEMBL2723618; CTK0G5849; DTXSID40474387; MolPort-004-296-827; RUYQFOIEMVGGQT-UHFFFAOYSA-N; ZINC22145186; BDBM50193461; AKOS000132984; NE22031; ACN-049935; MCULE-1854488236; EN300-40178; A839866
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) 248.3
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H12N2O2S
IUPAC Name
N-(3-aminophenyl)benzenesulfonamide
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C12H12N2O2S/c13-10-5-4-6-11(9-10)14-17(15,16)12-7-2-1-3-8-12/h1-9,14H,13H2
InChIKey
RUYQFOIEMVGGQT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11849198
CAS Number
104997-09-3
TTD ID
D05DAF

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.