Details of the Drug

General Information of Drug (ID: DM5CXQT)

• Drug Name: Isoxazole-based bicyclic compound 1
• Synonyms: PMID26924192-Compound-61
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 318.4
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H18N4O
  IUPAC Name: 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine
  Canonical SMILES: CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C=N3)CC4=CC=CC=C4)N
  InChI: InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
  InChIKey: JNHVPJQTAXBUHN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86566737
  TTD ID: D0SG9F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain and extraterminal domain protein (BET)	TTE4BSY	NOUNIPROTAC	Inhibitor	[1]

References

• [1] BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.