Details of the Drug

General Information of Drug (ID: DMBWH3O)

• Drug Name: Aryl methoxyacrylate derivative 1
• Synonyms: PMID26882240-Compound-20A
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 397.5
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H27NO5
  IUPAC Name: methyl (E)-3-methoxy-2-[2-[[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2,5-dimethylphenoxy]methyl]phenyl]prop-2-enoate
  Canonical SMILES: CC1=CC(=C(C=C1OCC2=CC=CC=C2/C(=C\\OC)/C(=O)OC)C)/C(=N/OC)/C
  InChI: InChI=1S/C23H27NO5/c1-15-12-22(16(2)11-20(15)17(3)24-28-6)29-13-18-9-7-8-10-19(18)21(14-26-4)23(25)27-5/h7-12,14H,13H2,1-6H3/b21-14+,24-17+
  InChIKey: LMRXZYBAUUHKCX-UDLHRNPOSA-N
• Cross-matching ID:
  PubChem CID: 88531173
  TTD ID: D0N4ON

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.