Details of the Drug

General Information of Drug (ID: DMSYD3X)

• Drug Name: US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
• Synonyms: SCHEMBL686607; CHEMBL3680986; BDBM123923; US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 310.4
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H14N6S
  IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine
  Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C3=C(NN=C3)NCCC4=CN=CN4
  InChI: InChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21)
  InChIKey: SKFIGKZRFZMUKR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66768033
  TTD ID: D0FL7J

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.