Details of the Drug

General Information of Drug (ID: DMODT8F)

• Drug Name: PMID26924192-Compound-54
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 582.6
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C26H33F3N6O4S
  IUPAC Name: (3R)-1,3-dimethyl-4-(oxan-4-yl)-6-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylanilino]-3H-pyrido[2,3-b]pyrazin-2-one
  Canonical SMILES: C[C@@H]1C(=O)N(C2=C(N1C3CCOCC3)N=C(C=C2)NC4=CC(=CC=C4)S(=O)(=O)N5CCN(CC5)CC(F)(F)F)C
  InChI: InChI=1S/C26H33F3N6O4S/c1-18-25(36)32(2)22-6-7-23(31-24(22)35(18)20-8-14-39-15-9-20)30-19-4-3-5-21(16-19)40(37,38)34-12-10-33(11-13-34)17-26(27,28)29/h3-7,16,18,20H,8-15,17H2,1-2H3,(H,30,31)/t18-/m1/s1
  InChIKey: DRCMYKRSYNVVMM-GOSISDBHSA-N
• Cross-matching ID:
  PubChem CID: 86582981
  TTD ID: D0R8CR

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.