Details of the Drug

General Information of Drug (ID: DMIOA9M)

• Drug Name: Dehydropipernonaline
• Synonyms: Dehydropipernonaline; 107584-38-3; Dehydropipernoline; Piperidine, 1-[9-(1,3-benzodioxol-5-yl)-1-oxo-2,4,8-nonatrienyl]-, (E,E,E)-; Piperidine, 1-(9-(1,3-benzodioxol-5-yl)-1-oxo-2,4,8-nonatrienyl)-, (E,E,E)-; AC1O5SQM; CHEMBL483708; MolPort-039-101-180; KAYVDASZRFLFRZ-PQECNABGSA-N; N-(9-(3,4-Methylenedioxyphenyl)-2,4,8-nonatrienoyl)piperidine; ZINC14658239; 9-(3,4-Methylenedioxy)-2,4,8-nonatrienoic acid piperidide; (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one; Piperidine, 1-[(2E,4E,8E)-9-(1

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); 339.4
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H25NO3
  IUPAC Name: (2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
  Canonical SMILES: C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3
  InChI: InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
  InChIKey: KAYVDASZRFLFRZ-PQECNABGSA-N
• Cross-matching ID:
  PubChem CID: 6439947
  CAS Number: 107584-38-3
  TTD ID: D0H0FG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ICAM1 messenger RNA (ICAM1 mRNA)	TTA1L39	ICAM1_HUMAN	Inhibitor	[1]

References

• [1] Alkamides from the fruits of Piper longum and Piper nigrum displaying potent cell adhesion inhibition. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4544-6.