Details of the Drug

General Information of Drug (ID: DMSB5IQ)

• Drug Name: 3-Chloro-4-hydrazino-benzenesulfonamide
• Synonyms: 3-chloro-4-hydrazino-benzenesulphonamide; 776281-37-9; hydrazide deriv. 16; SCHEMBL3952309; CHEMBL176203; CTK2G6221; BDBM12161; DTXSID30461261; MIIRMBFCBFPOKU-UHFFFAOYSA-N; 4-Hydrazino-3-chlorobenzenesulfonamide; AKOS030585345; Benzenesulfonamide, 3-chloro-4-hydrazino-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 221.67
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C6H8ClN3O2S
  IUPAC Name: 3-chloro-4-hydrazinylbenzenesulfonamide
  Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)Cl)NN
  InChI: InChI=1S/C6H8ClN3O2S/c7-5-3-4(13(9,11)12)1-2-6(5)10-8/h1-3,10H,8H2,(H2,9,11,12)
  InChIKey: MIIRMBFCBFPOKU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11287480
  CAS Number: 776281-37-9
  TTD ID: D01UDU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[1]

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 I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
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

References

• [1] Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamide... J Med Chem. 2005 Mar 24;48(6):2121-5.