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

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.