Details of the Drug

General Information of Drug (ID: DMRVHWZ)

• Drug Name: PIPERROLEIN B
• Synonyms: Piperolein B; PIPERROLEIN B; Piperoleine B; 30505-89-6; CHEMBL256214; MEGxp0_000205; SCHEMBL15471329; ACon1_000259; FAXXHNWVMKTOFF-UXBLZVDNSA-N; MCULE-4025815326; NCGC00180733-01; BRD-K04771916-001-01-8; Piperidine, 1-[(8E)-9-(1,3-benzodioxol-5-yl)-1-oxo-8-nonenyl]-; (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one; Piperidine, 1-[9-[3,4-(methylenedioxy)phenyl]-8-nonenoyl]-, (E)-; (E)-9-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one; Piperidine, 1-[9-(1,3-benzodioxol-5-yl)-1-oxo-8-nonenyl]-, (

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); 343.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H29NO3
  IUPAC Name: (E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnon-8-en-1-one
  Canonical SMILES: C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3
  InChI: InChI=1S/C21H29NO3/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/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+
  InChIKey: FAXXHNWVMKTOFF-UXBLZVDNSA-N
• Cross-matching ID:
  PubChem CID: 21580213
  CAS Number: 30505-89-6
  TTD ID: D03YAG
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.