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

Stem definitionDrug idCAS RN
dopamine receptor agonists, ergoline derivatives 2105 66104-22-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • LY-127,809
  • LY127,809
  • permax
  • LY 127809
  • pergolide mesilate
  • pergolide mesylate
  • pergolide
A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.
  • Molecular weight: 314.49
  • Formula: C19H26N2S
  • CLOGP: 4.40
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 19.03
  • ALOGS: -5.73
  • ROTB: 4

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
3 mg O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 2 Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 0.14 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 38 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

DateAgencyCompanyOrphan
Dec. 30, 1988 FDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Aortic valve incompetence 172.29 82.80 23 79 872 2357111
Mitral valve incompetence 171.19 82.80 26 76 2524 2355459
Tricuspid valve incompetence 150.16 82.80 22 80 1634 2356349
Cardiac failure 88.85 82.80 19 83 12075 2345908
Cardiac valve disease 83.86 82.80 12 90 714 2357269

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Gambling disorder 139.81 69.76 20 161 390 1746210
Mitral valve incompetence 121.83 69.76 22 159 1920 1744680
Aortic valve incompetence 120.07 69.76 19 162 741 1745859
Dopamine dysregulation syndrome 118.26 69.76 15 166 109 1746491
Tricuspid valve incompetence 97.05 69.76 17 164 1229 1745371
Hypersexuality 94.22 69.76 14 167 352 1746248
Cardiac valve disease 87.75 69.76 14 167 567 1746033
Parkinson's disease psychosis 87.22 69.76 9 172 3 1746597

Pharmacologic Action:

SourceCodeDescription
ATC N04BC02 NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
DOPAMINERGIC AGENTS
Dopamine agonists
FDA Chemical/Ingredient N0000007620 Ergot Alkaloids
FDA EPC N0000175767 Ergot-derived Dopamine Receptor Agonist
CHEBI has role CHEBI:48407 antiparkinson drug
CHEBI has role CHEBI:51065 dopamine agonist
MeSH PA D015259 Dopamine Agents
MeSH PA D018491 Dopamine Agonists
MeSH PA D018377 Neurotransmitter Agents

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Parkinsonism indication 32798002
Heart valve disorder contraindication 368009 DOID:4079
Pericarditis contraindication 3238004 DOID:1787
Orthostatic hypotension contraindication 28651003
Conduction disorder of the heart contraindication 44808001
Retroperitoneal fibrosis contraindication 49120005
Kidney disease contraindication 90708001 DOID:557
Pleurisy contraindication 196075003
Renal fibrosis contraindication 197660000
Pericardial effusion contraindication 373945007 DOID:118
Breastfeeding (mother) contraindication 413712001
Fibrosis of pleura contraindication 442110002
Pleural Effusions contraindication

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.41 acidic
pKa2 7.67 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
D(1A) dopamine receptor GPCR AGONIST Ki 6.47 SCIENTIFIC LITERATURE DRUG LABEL
D(2) dopamine receptor GPCR AGONIST EC50 8.30 WOMBAT-PK DRUG LABEL
D(1B) dopamine receptor GPCR AGONIST Ki 6.76 WOMBAT-PK
Cytochrome P450 2D6 Enzyme IC50 6.70 DRUG MATRIX
Alpha-1D adrenergic receptor GPCR Ki 6.13 DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 6.92 CHEMBL
D(3) dopamine receptor GPCR AGONIST EC50 9 WOMBAT-PK
Alpha-2C adrenergic receptor GPCR Ki 7.20 WOMBAT-PK
5-hydroxytryptamine receptor 1D GPCR Ki 7.90 WOMBAT-PK
5-hydroxytryptamine receptor 1B GPCR EC50 6.60 WOMBAT-PK
Alpha-2B adrenergic receptor GPCR Ki 7.50 WOMBAT-PK
5-hydroxytryptamine receptor 2C GPCR EC50 6.50 WOMBAT-PK
5-hydroxytryptamine receptor 2B GPCR EC50 8.20 WOMBAT-PK
5-hydroxytryptamine receptor 2A GPCR EC50 8.10 WOMBAT-PK
5-hydroxytryptamine receptor 1A GPCR Ki 8.50 WOMBAT-PK
Alpha-2A adrenergic receptor GPCR Ki 7.30 WOMBAT-PK
Alpha-1B adrenergic receptor GPCR Ki 6.16 PDSP
Alpha-1A adrenergic receptor GPCR Ki 5.98 PDSP
D(4) dopamine receptor GPCR AGONIST Ki 7.25 WOMBAT-PK
Alpha-1B adrenergic receptor GPCR Ki 5.84 DRUG MATRIX
5-hydroxytryptamine receptor 1B GPCR Ki 7.40 DRUG MATRIX
Dopamine receptor GPCR IC50 7.74 CHEMBL
D(2) dopamine receptor GPCR IC50 7.32 CHEMBL
D(3) dopamine receptor GPCR IC50 8.62 CHEMBL
Dopamine receptor GPCR IC50 8.51 CHEMBL
Adrenergic receptor alpha-2 GPCR IC50 7.39 CHEMBL
Cerebral cortex alpha adrenergic receptor GPCR IC50 7.39 CHEMBL
D(2) dopamine receptor GPCR Kd 8.40 CHEMBL
5-hydroxytryptamine receptor 1A GPCR IC50 7.82 CHEMBL
Alpha-1A adrenergic receptor GPCR IC50 5.71 CHEMBL
5-hydroxytryptamine receptor 7 GPCR AGONIST Ki 9 IUPHAR
5-hydroxytryptamine receptor 6 GPCR AGONIST Ki 7.50 IUPHAR

External reference:

IDSource
C0701028 UMLSCUI
D00502 KEGG_DRUG
24MJ822NZ9 UNII
4651 INN_ID
66104-23-2 SECONDARY_CAS_RN
108468004 SNOMEDCT_US
4019883 VANDF
8047 RXNORM
372498008 SNOMEDCT_US
d00977 MMSL
003442 NDDF
CHEMBL531 ChEMBL_ID
CHEMBL1275 ChEMBL_ID
DB01186 DRUGBANK_ID
CHEBI:63617 CHEBI
47811 PUBCHEM_CID
D010479 MESH_DESCRIPTOR_UI
48 IUPHAR_LIGAND_ID

Pharmaceutical products:

None