Details of the Drug

General Information of Drug (ID: DMFU6JR)

• Drug Name: PMID26924192-Compound-52
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 393.4
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H23N3O4
  IUPAC Name: 2-cyclopentyl-6-methoxy-8-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4H-1,4-benzoxazin-3-one
  Canonical SMILES: CN1C=C(C2=C(C1=O)NC=C2)C3=C4C(=CC(=C3)OC)NC(=O)C(O4)C5CCCC5
  InChI: InChI=1S/C22H23N3O4/c1-25-11-16(14-7-8-23-18(14)22(25)27)15-9-13(28-2)10-17-20(15)29-19(21(26)24-17)12-5-3-4-6-12/h7-12,19,23H,3-6H2,1-2H3,(H,24,26)
  InChIKey: APVTWFGLNNDNFT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118467707
  TTD ID: D0G5UR

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.