Details of the Drug

General Information of Drug (ID: DMYP7UG)

Drug Name
6-Nitro-benzothiazole-2-sulfonic acid amide
Synonyms CHEMBL186335; 6-nitro-2-benzothiazolesulfonamide; 6-Nitro-benzothiazole-2-sulfonic acid amide; SCHEMBL10347981; VDPWQQORTOWPSP-UHFFFAOYSA-N; 6-nitrobenzothiazole-2-sulfonamide; BDBM50155503
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) 259.3
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C7H5N3O4S2
IUPAC Name
6-nitro-1,3-benzothiazole-2-sulfonamide
Canonical SMILES
C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)S(=O)(=O)N
InChI
InChI=1S/C7H5N3O4S2/c8-16(13,14)7-9-5-2-1-4(10(11)12)3-6(5)15-7/h1-3H,(H2,8,13,14)
InChIKey
VDPWQQORTOWPSP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13393427
TTD ID
D07JYF

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 [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 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: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5703-7.