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
ChEBI ID
CHEMBL6685
CAS Number
29927-14-8
DrugBank ID
DB08765
TTD ID
D0A6HS
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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]
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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 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.