Details of the Drug

General Information of Drug (ID: DMNI0PH)

• Drug Name: Isoxazole-based bicyclic compound 4
• Synonyms: PMID26924192-Compound-64
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 362.4
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H22N4O2
  IUPAC Name: 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethoxybenzimidazol-4-amine
  Canonical SMILES: CCOC1=NC2=C(C=C(C=C2N1CC3=CC=CC=C3)C4=C(ON=C4C)C)N
  InChI: InChI=1S/C21H22N4O2/c1-4-26-21-23-20-17(22)10-16(19-13(2)24-27-14(19)3)11-18(20)25(21)12-15-8-6-5-7-9-15/h5-11H,4,12,22H2,1-3H3
  InChIKey: AURDBDSAYLFHPT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 87057249
  TTD ID: D05GPL

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.