Details of the Drug

General Information of Drug (ID: DMZTPUA)

• Drug Name: Triptolidenol analog 1
• Synonyms: PMID26882240-Compound-38
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 524.5
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C29H29FO8
  IUPAC Name: [(1S,2S,4S,5S,7S,8R,9R,11S,13S)-7-(2-hydroxypropan-2-yl)-1-methyl-17-oxo-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl] (E)-3-(4-fluorophenyl)prop-2-enoate
  Canonical SMILES: C[C@]12CCC3=C([C@@H]1C[C@H]4[C@@]5([C@@]26[C@@H](O6)[C@H]7[C@@]([C@H]5OC(=O)/C=C/C8=CC=C(C=C8)F)(O7)C(C)(C)O)O4)COC3=O
  InChI: InChI=1S/C29H29FO8/c1-25(2,33)28-21(37-28)22-29(38-22)26(3)11-10-16-17(13-34-23(16)32)18(26)12-19-27(29,36-19)24(28)35-20(31)9-6-14-4-7-15(30)8-5-14/h4-9,18-19,21-22,24,33H,10-13H2,1-3H3/b9-6+/t18-,19-,21-,22-,24-,26-,27+,28-,29+/m0/s1
  InChIKey: FVQHGGQECDTHSW-YZAYWNIQSA-N
• Cross-matching ID:
  PubChem CID: 122377866
  TTD ID: D01DSL

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.