Details of the Drug

General Information of Drug (ID: DM2SUCK)

• Drug Name: Isoxazole-based bicyclic compound 17
• Synonyms: PMID26924192-Compound-77
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 362.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H18N4O3
  IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyrimidin-2-ylmethyl)quinolin-2-one
  Canonical SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)C=CC(=O)N3CC4=NC=CC=N4)OC
  InChI: InChI=1S/C20H18N4O3/c1-12-20(13(2)27-23-12)15-9-14-5-6-19(25)24(16(14)10-17(15)26-3)11-18-21-7-4-8-22-18/h4-10H,11H2,1-3H3
  InChIKey: NWOCKSNGLNHMMB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118224715
  TTD ID: D08IZA

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.