Details of the Drug

General Information of Drug (ID: DMPOAB7)

• Drug Name: 1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one
• Synonyms: 3654-49-7; (1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one; 1,5-Bis(4-hydroxyphenyl)penta-1,4-dien-3-one; Bis-1,5-(4-Hydroxyphenyl)-1,4-Pentadien-3-one; 1,5-Bis-(4-hydroxyphenyl)-1,4-pentadien-3-one; CHEMBL129134; EINECS 222-896-4; AC1O5NFJ; 1,5-Di(p-hydroxyphenyl)-1,4-pentadien-3-one; 1,5-BIS(4-HYDROXYPHENYL)-1,4-PENTADIEN-3-ONE; 4,4'-Dihydroxydistyrylketon; ZINC6092599; BDBM50067044; AKOS015962226; CD-1056; M064; CC-03405; AC-16155; A823289; C-35230; 654B497; 1,5-Bis-(4-hydroxy-phenyl)-penta-1,4-dien-3-one; W-106603

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); 266.29
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H14O3
  IUPAC Name: (1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one
  Canonical SMILES: C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)O)O
  InChI: InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+
  InChIKey: FTEGUKWEUQPKIS-YDWXAUTNSA-N
• Cross-matching ID:
  PubChem CID: 6437306
  CAS Number: 3654-49-7
  TTD ID: D0J6RQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]

References

• [1] Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem. 2008 Aug;43(8):1621-31.