Details of the Drug

General Information of Drug (ID: DMPRYTW)

• Drug Name: DCB-3503
• Synonyms: DCB-3503; UNII-TXF835U41K; NSC-716802; CHEMBL399454; TXF835U41K; NSC716802; AC1L8JU6; (13aS,14S)-Tylophorinine; 87302-58-7; SCHEMBL12389871; CTK7A0055; BDBM50213933; Dibenzo(f,H)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13aS,14S)-; NCI60_040362; Dibenzo(f,H)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-2,3,6,7-tetramethoxy-, (13as-trans)-; (13aS,14S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol; Dibenzo[f,2-b]isoquinolin-14-ol, 9

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); 409.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H27NO5
  IUPAC Name: (13aS,14S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
  Canonical SMILES: COC1=C(C=C2C(=C1)C3=C([C@@H]([C@@H]4CCCN4C3)O)C5=CC(=C(C=C25)OC)OC)OC
  InChI: InChI=1S/C24H27NO5/c1-27-19-8-13-14-9-20(28-2)22(30-4)11-16(14)23-17(15(13)10-21(19)29-3)12-25-7-5-6-18(25)24(23)26/h8-11,18,24,26H,5-7,12H2,1-4H3/t18-,24+/m0/s1
  InChIKey: JWHWLMNMGLICQZ-MHECFPHRSA-N
• Cross-matching ID:
  PubChem CID: 402628
  CAS Number: 87302-58-7
  TTD ID: D0Y9AQ

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.