Details of the Drug

General Information of Drug (ID: DMPXAGD)

• Drug Name: Alkaloid derivative 4
• Synonyms: PMID26882240-Compound-37
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 418.6
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C27H34N2O2
  IUPAC Name: (11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
  Canonical SMILES: CCC1=C(C[C@H]2C3=CC=CC=C3CCN2C1)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC
  InChI: InChI=1S/C27H34N2O2/c1-4-18-17-29-12-10-19-7-5-6-8-22(19)25(29)14-21(18)13-24-23-16-27(31-3)26(30-2)15-20(23)9-11-28-24/h5-8,15-16,24-25,28H,4,9-14,17H2,1-3H3/t24-,25+/m1/s1
  InChIKey: GAUYNTGXYGJOSH-RPBOFIJWSA-N
• Cross-matching ID:
  PubChem CID: 3246466
  TTD ID: D0FB3R

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.