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
• #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
  TTD ID: D0Q7KI

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]

References

• [1] Pyrazolylbenzothiazole derivatives and their use as therapeutic agents. US8754233.