Details of the Drug

General Information of Drug (ID: DMVMSQ2)

• Drug Name: PMID25656651-Compound-30a
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 246.26
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C13H14N2O3
  IUPAC Name: 4-[(E)-2-(3-propyl-1,2,4-oxadiazol-5-yl)ethenyl]benzene-1,2-diol
  Canonical SMILES: CCCC1=NOC(=N1)/C=C/C2=CC(=C(C=C2)O)O
  InChI: InChI=1S/C13H14N2O3/c1-2-3-12-14-13(18-15-12)7-5-9-4-6-10(16)11(17)8-9/h4-8,16-17H,2-3H2,1H3/b7-5+
  InChIKey: MAWOOXDYMFRJNN-FNORWQNLSA-N
• Cross-matching ID:
  PubChem CID: 135565531
  CAS Number: 1332498-21-1
  TTD ID: D01UBA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fusion protein Bcr-Abl (Bcr-Abl)	TTS7G69	BCR_HUMAN-ABL1_HUMAN	Inhibitor	[1]

References

• [1] Bcr-Abl tyrosine kinase inhibitors: a patent review.Expert Opin Ther Pat. 2015 Apr;25(4):397-412.