Details of the Drug

General Information of Drug (ID: DMFN1AR)

• Drug Name: PMID26924192-Compound-53
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 459.6
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C22H29N5O4S
  IUPAC Name: 3-[[(3R)-1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-N-ethylbenzenesulfonamide
  Canonical SMILES: CCNS(=O)(=O)C1=CC=CC(=C1)NC2=NC3=C(C=C2)N(C(=O)[C@H](N3C4CCOCC4)C)C
  InChI: InChI=1S/C22H29N5O4S/c1-4-23-32(29,30)18-7-5-6-16(14-18)24-20-9-8-19-21(25-20)27(15(2)22(28)26(19)3)17-10-12-31-13-11-17/h5-9,14-15,17,23H,4,10-13H2,1-3H3,(H,24,25)/t15-/m1/s1
  InChIKey: IVGZHVCCAQPDME-OAHLLOKOSA-N
• Cross-matching ID:
  PubChem CID: 121412319
  TTD ID: D04WNN

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.