Details of the Drug

General Information of Drug (ID: DMJPQNH)

Drug Name
US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-sulfonic acid amide
Synonyms SCHEMBL687220; CHEMBL3639798; BDBM123930; US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-sulfonic acid amide
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 313.3
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C10H8FN5O2S2
IUPAC Name
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-1,3-benzothiazole-6-sulfonamide
Canonical SMILES
C1=C2C(=CC(=C1F)S(=O)(=O)N)SC(=N2)C3=C(NN=C3)N
InChI
InChI=1S/C10H8FN5O2S2/c11-5-1-6-7(2-8(5)20(13,17)18)19-10(15-6)4-3-14-16-9(4)12/h1-3H,(H3,12,14,16)(H2,13,17,18)
InChIKey
MJSWBRWBMZMVTH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
66768275
ChEBI ID
CHEMBL3639798
TTD ID
D0Q7KI
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Integrin-linked protein kinase 1 (ILK) TT7ALZG ILK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents. US8754233.