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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL35118
CAS Number
94641-11-9
TTD ID
D0O1QT
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.