Details of the Drug

General Information of Drug (ID: DM6YGLT)

• Drug Name: PMID26924192-Compound-56
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 498.6
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C25H34N6O3S
  IUPAC Name: (3R)-1,3-dimethyl-4-(1-methylpiperidin-4-yl)-6-(3-pyrrolidin-1-ylsulfonylanilino)-3H-pyrido[2,3-b]pyrazin-2-one
  Canonical SMILES: C[C@@H]1C(=O)N(C2=C(N1C3CCN(CC3)C)N=C(C=C2)NC4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C
  InChI: InChI=1S/C25H34N6O3S/c1-18-25(32)29(3)22-9-10-23(27-24(22)31(18)20-11-15-28(2)16-12-20)26-19-7-6-8-21(17-19)35(33,34)30-13-4-5-14-30/h6-10,17-18,20H,4-5,11-16H2,1-3H3,(H,26,27)/t18-/m1/s1
  InChIKey: IIDSCXUAKMUCPQ-GOSISDBHSA-N
• Cross-matching ID:
  PubChem CID: 87055861
  TTD ID: D0R6KH

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.