perhexiline Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
2106 6621-47-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • perhexiline maleate
  • perhexiline
2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.
  • Molecular weight: 277.50
  • Formula: C19H35N
  • CLOGP: 7.15
  • LIPINSKI: 1
  • HAC: 1
  • HDO: 1
  • TPSA: 12.03
  • ALOGS: -7.01
  • ROTB: 4

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 0.00 mg/mL Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 18.02 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 73.50 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC C08EX02 CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Other non-selective calcium channel blockers
CHEBI has role CHEBI:35554 cardiovascular drug
MeSH PA D002121 Calcium Channel Blockers
MeSH PA D000077264 Calcium-Regulating Hormones and Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D049990 Membrane Transport Modulators
MeSH PA D014665 Vasodilator Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 10.2 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Sigma non-opioid intracellular receptor 1 Membrane receptor Ki 5.96 DRUG MATRIX
Sodium-dependent noradrenaline transporter Transporter Ki 5.49 DRUG MATRIX
Muscarinic acetylcholine receptor M1 GPCR Ki 6.19 DRUG MATRIX
Muscarinic acetylcholine receptor M3 GPCR Ki 6.18 DRUG MATRIX
Muscarinic acetylcholine receptor M4 GPCR Ki 6.30 DRUG MATRIX
Muscarinic acetylcholine receptor M5 GPCR Ki 6.10 DRUG MATRIX
Cytochrome P450 2D6 Enzyme IC50 6.03 DRUG MATRIX
Epidermal growth factor receptor Kinase IC50 5.83 DRUG MATRIX
Tyrosine-protein kinase Fyn Kinase IC50 5.39 DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 5.11 CHEMBL
Carnitine O-palmitoyltransferase 2, mitochondrial Enzyme IC50 4.14 CHEMBL
Carnitine O-palmitoyltransferase 1, liver isoform Enzyme WOMBAT-PK
Voltage-dependent T-type calcium channel subunit alpha-1I Ion channel WOMBAT-PK
Voltage-dependent T-type calcium channel subunit alpha-1H Ion channel Ki 5.36 WOMBAT-PK
Voltage-dependent T-type calcium channel subunit alpha-1G Ion channel WOMBAT-PK
Carnitine palmitoyltransferase 2 Unclassified IC50 4.10 CHEMBL
Adrenergic receptor alpha-1 GPCR Kd 6.70 CHEMBL
Carnitine palmitoyltransferase 1A Unclassified IC50 4.11 CHEMBL

External reference:

IDSource
C0070413 UMLSCUI
D05442 KEGG_DRUG
421776000 SNOMEDCT_US
8050 RXNORM
421817009 SNOMEDCT_US
005713 NDDF
CHEBI:35553 CHEBI
CHEMBL75880 ChEMBL_ID
DB01074 DRUGBANK_ID
K7V8Y90G0H UNII
6724-53-4 SECONDARY_CAS_RN
1850 INN_ID
C023470 MESH_SUPPLEMENTAL_RECORD_UI
4746 PUBCHEM_CID
CHEMBL1334033 ChEMBL_ID
D010480 MESH_DESCRIPTOR_UI

Pharmaceutical products:

None