Details of the Drug

General Information of Drug (ID: DM3NXP8)

• Drug Name: PMID26924192-Compound-57
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 471.6
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C23H29N5O4S
  IUPAC Name: N-cyclopropyl-3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]benzenesulfonamide
  Canonical SMILES: C[C@@H]1C(=O)N(C2=C(N1C3CCOCC3)N=C(C=C2)NC4=CC(=CC=C4)S(=O)(=O)NC5CC5)C
  InChI: InChI=1S/C23H29N5O4S/c1-15-23(29)27(2)20-8-9-21(25-22(20)28(15)18-10-12-32-13-11-18)24-17-4-3-5-19(14-17)33(30,31)26-16-6-7-16/h3-5,8-9,14-16,18,26H,6-7,10-13H2,1-2H3,(H,24,25)/t15-/m1/s1
  InChIKey: XMBSYBXAJSVFRE-OAHLLOKOSA-N
• Cross-matching ID:
  PubChem CID: 87055862
  TTD ID: D0OJ1R

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.