Details of the Drug

General Information of Drug (ID: DMPFUBE)

• Drug Name: [(R)-(+)-deoxytylophorinidine
• Synonyms: CHEMBL250474; [(R)-(+)-deoxytylophorinidine; BDBM50213932

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 349.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H23NO3
  IUPAC Name: (13aR)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-ol
  Canonical SMILES: COC1=CC2=C(C=C1)C3=C(CN4CCC[C@@H]4C3)C5=CC(=C(C=C52)O)OC
  InChI: InChI=1S/C22H23NO3/c1-25-14-5-6-15-16-8-13-4-3-7-23(13)12-20(16)19-11-22(26-2)21(24)10-18(19)17(15)9-14/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3/t13-/m1/s1
  InChIKey: DACRWRGHESRUQW-CYBMUJFWSA-N
• Cross-matching ID:
  PubChem CID: 44443385
  TTD ID: D04HFC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
c-Jun messenger RNA (c-Jun mRNA)	TTS7IR5	JUN_HUMAN	Inhibitor	[1]

References

• [1] Structure-activity studies of phenanthroindolizidine alkaloids as potential antitumor agents. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4338-42.