Details of the Drug

General Information of Drug (ID: DMBW208)

• Drug Name: Pyrrolo-pyrrolone derivative 6
• Synonyms: PMID26924192-Compound-39
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 506
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H24ClN5O4
  IUPAC Name: (6R)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-6-oxopyridin-3-yl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
  Canonical SMILES: CC1=CC(=CN(C1=O)C)N2[C@@H](C3=C(C2=O)C=C(N3C)C4=CN=C(N=C4OC)OC)C5=CC=C(C=C5)Cl
  InChI: InChI=1S/C26H24ClN5O4/c1-14-10-17(13-30(2)24(14)33)32-21(15-6-8-16(27)9-7-15)22-18(25(32)34)11-20(31(22)3)19-12-28-26(36-5)29-23(19)35-4/h6-13,21H,1-5H3/t21-/m1/s1
  InChIKey: QLRYSHYUZMZZPY-OAQYLSRUSA-N
• Cross-matching ID:
  PubChem CID: 122553484
  TTD ID: D0O9WQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CREB-binding protein (CREBBP)	TTFRCTK	CBP_HUMAN	Inhibitor	[1]

References

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