Details of the Drug

General Information of Drug (ID: DMWPELS)

• Drug Name: 6-Amino-benzothiazole-2-sulfonic acid amide
• Synonyms: 6-aminobenzo[d]thiazole-2-sulfonamide; 6-Amino-2-benzothiazolesulfonamide; 94641-11-9; MR69RTSOVN; UNII-MR69RTSOVN; CHEMBL35118; Aminozolamide; AC1L3QBY; 6-Amino-benzothiazole-2-sulfonic acid amide; SCHEMBL9459715; OFSGGVHHSMAUEI-UHFFFAOYSA-N; 6-aminobenzothiazole-2-sulfonamide; ZINC5162075; BDBM50079035; 2-Benzothiazolesulfonamide, 6-amino-; AKOS022656973; FCH1394039; 6-amino-1,3-benzothiazole-2-sulfonamide; AX8292464

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); 229.3
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C7H7N3O2S2
  IUPAC Name: 6-amino-1,3-benzothiazole-2-sulfonamide
  Canonical SMILES: C1=CC2=C(C=C1N)SC(=N2)S(=O)(=O)N
  InChI: InChI=1S/C7H7N3O2S2/c8-4-1-2-5-6(3-4)13-7(10-5)14(9,11)12/h1-3H,8H2,(H2,9,11,12)
  InChIKey: OFSGGVHHSMAUEI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 93505
  CAS Number: 94641-11-9
  TTD ID: D0O1QT

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]

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

References

• [1] Carbonic anhydrase inhibitors. Synthesis of water-soluble, topically effective, intraocular pressure-lowering aromatic/heterocyclic sulfonamides co... J Med Chem. 1999 Jul 15;42(14):2641-50.