Details of the Drug

General Information of Drug (ID: DMJY0CD)

• Drug Name: US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-(2-fluoro-phenyl)-2H-pyrazol-3-ylamine
• Synonyms: SCHEMBL686446; CHEMBL3639845; BDBM123985; US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-(2-fluoro-phenyl)-2H-pyrazol-3-ylamine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 358.4
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H12F2N4OS
  IUPAC Name: 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-1H-pyrazol-3-amine
  Canonical SMILES: COC1=C(C=C2C(=C1)SC(=N2)C3=C(NN=C3N)C4=CC=CC=C4F)F
  InChI: InChI=1S/C17H12F2N4OS/c1-24-12-7-13-11(6-10(12)19)21-17(25-13)14-15(22-23-16(14)20)8-4-2-3-5-9(8)18/h2-7H,1H3,(H3,20,22,23)
  InChIKey: YMZGLBIKIDCVFV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66767960
  TTD ID: D09CNM

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.