Details of the Drug

General Information of Drug (ID: DMGA53N)

• Drug Name: Prontosil
• Synonyms: Aseptil rojo (TN); Prontosil rubrum; Q64Q9N6Q6O; Rubiazol; SCHEMBL155098; SCHEMBL155099; Sulfamidochrysoidine; TX-017879; ob sie prontosil; prontosil; 103-12-8; 4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide; AI3-09088; Benzenesulfonamide, 4-((2,4-diaminophenyl)azo)-; CHEBI:8464; CHEMBL488279; CTK4A1757; DTXSID60145608; EINECS 203-081-2; P-[(2,4-diaminophenyl)azo]benzenesulphonamide; UNII-Q64Q9N6Q6O; p-((2,4-Diaminophenyl)azo)benzenesulphonamide; p-[(2,4-Diaminophenyl)azo]benzenesulfonamide
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 291.33
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C12H13N5O2S
  IUPAC Name: 4-[(2,4-diaminophenyl)diazenyl]benzenesulfonamide
  Canonical SMILES: C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N
  InChI: ABBQGOCHXSPKHJ-UHFFFAOYSA-N
  InChIKey: 1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)
• Cross-matching ID:
  PubChem CID: 66895
  ChEBI ID: CHEBI:8464
  CAS Number: 103-12-8
  INTEDE ID: DR2426

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Azoreductase (azoR) Main DME	DEUGFHC	A0A074IU04_STRSL	Substrate	[1]

References

• [1] Intestinal azo-reduction and glucuronide conjugation of prontosil. Xenobiotica. 1973 Sep;3(9):599-604.