Details of the Drug

General Information of Drug (ID: DMNC0RX)

• Drug Name: Aryl methoxyacrylate derivative 2
• Synonyms: PMID26882240-Compound-20B
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 439.5
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H33NO5
  IUPAC Name: methyl (E)-2-[2-[[4-[(E)-C-ethyl-N-propoxycarbonimidoyl]-2,5-dimethylphenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
  Canonical SMILES: CCCO/N=C(\\CC)/C1=C(C=C(C(=C1)C)OCC2=CC=CC=C2/C(=C\\OC)/C(=O)OC)C
  InChI: InChI=1S/C26H33NO5/c1-7-13-32-27-24(8-2)22-14-19(4)25(15-18(22)3)31-16-20-11-9-10-12-21(20)23(17-29-5)26(28)30-6/h9-12,14-15,17H,7-8,13,16H2,1-6H3/b23-17+,27-24+
  InChIKey: SLZOIVOTSYQKJP-FQGYVBMWSA-N
• Cross-matching ID:
  PubChem CID: 88531325
  TTD ID: D0TV4O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hypoxia-inducible factor 1 (HIF-1)	TTUX68I	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.