General Information of Drug (ID: DM37X04)

Drug Name
3-((4-aminophenyl)diazenyl)benzenesulfonamide
Synonyms 3-(4'-Aminophenyl)diazenylbenzenesulfonamide
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) 276.32
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C12H12N4O2S
IUPAC Name
3-[(4-aminophenyl)diazenyl]benzenesulfonamide
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H12N4O2S/c13-9-4-6-10(7-5-9)15-16-11-2-1-3-12(8-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)
InChIKey
VAOWCMBATGAWIO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44246267
TTD ID
D0H4CF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [2]
Carbonic anhydrase IX (CA-IX) TT2LVK8 CAH9_HUMAN Inhibitor [1]
Carbonic anhydrase XII (CA-XII) TTSYM0R CAH12_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
Carbonic anhydrase XII (CA-XII) DTT CA12 3.29E-21 1.27 1.02
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Carbonic anhydrase IX (CA-IX) DTT CA9 1.12E-10 -0.03 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors. Diazenylbenzenesulfonamides are potent and selective inhibitors of the tumor-associated isozymes IX and XII over the... Bioorg Med Chem. 2009 Oct 15;17(20):7093-9.
2 Carbonic anhydrase inhibitors. Inhibition of the Rv1284 and Rv3273 beta-carbonic anhydrases from Mycobacterium tuberculosis with diazenylbenzenesul... Bioorg Med Chem Lett. 2009 Sep 1;19(17):4929-32.