Details of the Drug

General Information of Drug (ID: DMPSOIF)

Drug Name
6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE
Synonyms
6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE; 6-Hydroxy-2-benzothiazolesulfonamide; CHEMBL6685; 6-Hydroxybenzothiazole-2-sulfonamide; ZEC; 1zfq; AC1OA9RN; SCHEMBL160105; BDBM10874; NOOBQTYVTDBXTL-UHFFFAOYSA-N; AKOS022657291; aromatic/heteroaromatic sulfonamide 19; DB08765
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) 230.3
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H6N2O3S2
IUPAC Name
6-hydroxy-1,3-benzothiazole-2-sulfonamide
Canonical SMILES
C1=CC2=C(C=C1O)SC(=N2)S(=O)(=O)N
InChI
InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
InChIKey
NOOBQTYVTDBXTL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6852129
CAS Number
29927-14-8
DrugBank ID
DB08765
TTD ID
D0A6HS

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]
Macrophage migration inhibitory factor (MIF) TT2AST1 MIF_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 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.