Details of the Drug

General Information of Drug (ID: DMB2MH3)

• Drug Name: PMID26924192-Compound-51
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 353.4
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H19N3O4
  IUPAC Name: 6-methoxy-2,2-dimethyl-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4H-1,4-benzoxazin-3-one
  Canonical SMILES: CC1(C(=O)NC2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)OC)C
  InChI: InChI=1S/C19H19N3O4/c1-19(2)18(24)21-14-8-10(25-4)7-12(16(14)26-19)13-9-22(3)17(23)15-11(13)5-6-20-15/h5-9,20H,1-4H3,(H,21,24)
  InChIKey: YAGDWXZVBYSOAH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118467741
  TTD ID: D0E4UV

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.