Details of the Drug

General Information of Drug (ID: DM38VYQ)

• Drug Name: Pentolinium
• Synonyms: Pentolineum; Pentolonium; Pentolonum; 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium); 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium

Indication

Disease Entry	ICD 11	Status	REF
Hypotension	BA20-BA21	Approved	[1]

• Therapeutic Class: Antihypertensive Agents
• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 240.43
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C15H32N2+2
  IUPAC Name: 1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium
  Canonical SMILES: C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C
  InChI: InChI=1S/C15H32N2/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17/h3-15H2,1-2H3/q+2
  InChIKey: XSBSKEQEUFOSDD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5850
  ChEBI ID: CHEMBL347401
  CAS Number: 144-44-5
  UNII: ULL76WPU5X
  DrugBank ID: DB01090
  TTD ID: D0IX1A
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-4 (CHRNA4)	TT4H1MQ	ACHA4_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypotension
• ICD Disease Classification: BA20-BA21

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Neuronal acetylcholine receptor alpha-4 (CHRNA4)	DTT	CHRNA4	3.51E-10	-0.15	-0.61

References

• [1] Drug information of Pentolinium, 2008. eduDrugs.
• [2] Nicotinic and nonnicotinic receptor-mediated actions of vinblastine. Proc Soc Exp Biol Med. 1993 Jul;203(3):372-6.