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A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.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 92.07 44.17 20 626 6185 53342235
Mitral valve incompetence 78.31 44.17 22 624 19529 53328891
Tricuspid valve incompetence 65.89 44.17 18 628 14378 53334042
Parkinson's disease 59.36 44.17 11 635 1520 53346900
Mitral valve disease 55.08 44.17 11 635 2249 53346171
Cardiac valve disease 48.02 44.17 11 635 4291 53344129
Retroperitoneal fibrosis 44.83 44.17 7 639 347 53348073

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 116.06 44.23 23 938 1846 32510719
Dopamine dysregulation syndrome 94.68 44.23 16 945 525 32512040
Aortic valve incompetence 87.18 44.23 22 939 5281 32507284
Mitral valve incompetence 80.87 44.23 26 935 14845 32497720
Hypersexuality 76.81 44.23 16 945 1641 32510924
Cardiac valve disease 61.49 44.23 15 946 3125 32509440
Tricuspid valve incompetence 49.45 44.23 16 945 9271 32503294
Dyskinesia 44.66 44.23 19 942 23584 32488981

Pharmacologic Action:

SourceCodeDescription
ATC N04BC02 NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
DOPAMINERGIC AGENTS
Dopamine agonists
FDA CS M0007656 Ergot Alkaloids
FDA MoA N0000000117 Dopamine Agonists
MeSH PA D015259 Dopamine Agents
MeSH PA D018491 Dopamine Agonists
MeSH PA D018377 Neurotransmitter Agents
CHEBI has role CHEBI:48407 antiparkinson agent
CHEBI has role CHEBI:51065 Agonista dopaminergico
CHEBI has role CHEBI:176497 anti-aging drugs
FDA EPC N0000175767 Ergot-derived Dopamine Receptor Agonist

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(2) dopamine receptor GPCR AGONIST EC50 8.30 WOMBAT-PK DRUG LABEL
D(1A) dopamine receptor GPCR AGONIST Ki 6.47 SCIENTIFIC LITERATURE DRUG LABEL
5-hydroxytryptamine receptor 1A GPCR Ki 8.50 WOMBAT-PK
5-hydroxytryptamine receptor 2A GPCR EC50 8.10 WOMBAT-PK
5-hydroxytryptamine receptor 2B GPCR EC50 8.20 WOMBAT-PK
5-hydroxytryptamine receptor 2C GPCR EC50 6.50 WOMBAT-PK
5-hydroxytryptamine receptor 6 GPCR Ki 7.75 CHEMBL
Alpha-1A adrenergic receptor GPCR Ki 5.98 PDSP
Alpha-2B adrenergic receptor GPCR Ki 7.50 WOMBAT-PK
D(3) dopamine receptor GPCR AGONIST EC50 9 WOMBAT-PK
D(1B) dopamine receptor GPCR AGONIST Ki 6.76 WOMBAT-PK
5-hydroxytryptamine receptor 1B GPCR EC50 6.60 WOMBAT-PK
5-hydroxytryptamine receptor 1D GPCR Ki 7.90 WOMBAT-PK
Alpha-2C adrenergic receptor GPCR Ki 7.20 WOMBAT-PK
Cytochrome P450 2D6 Enzyme IC50 6.70 DRUG MATRIX
D(4) dopamine receptor GPCR AGONIST Ki 7.25 WOMBAT-PK
Alpha-2A adrenergic receptor GPCR Ki 7.30 WOMBAT-PK
Alpha-1B adrenergic receptor GPCR Ki 6.16 PDSP
Alpha-1D adrenergic receptor GPCR Ki 6.13 DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 6.92 CHEMBL
Alpha-1B adrenergic receptor GPCR Ki 5.84 DRUG MATRIX
5-hydroxytryptamine receptor 1B GPCR Ki 7.40 DRUG MATRIX
Alpha-1A adrenergic receptor GPCR IC50 5.71 CHEMBL
D(2) dopamine receptor GPCR Kd 8.40 CHEMBL
5-hydroxytryptamine receptor 1A GPCR IC50 7.82 CHEMBL
5-hydroxytryptamine receptor 7 GPCR AGONIST Ki 9 IUPHAR
D(2) dopamine receptor GPCR IC50 7.32 CHEMBL
D(3) dopamine receptor GPCR IC50 8.62 CHEMBL
5-hydroxytryptamine receptor 6 GPCR AGONIST Ki 7.50 IUPHAR
Adrenergic receptor alpha-2 GPCR IC50 7.39 CHEMBL
Dopamine receptor GPCR IC50 7.74 CHEMBL
Dopamine receptor GPCR IC50 8.51 CHEMBL
Cerebral cortex alpha adrenergic receptor GPCR IC50 7.39 CHEMBL

External reference:

IDSource
D00502 KEGG_DRUG
66104-23-2 SECONDARY_CAS_RN
4019530 VANDF
4019883 VANDF
C0031007 UMLSCUI
CHEBI:63617 CHEBI
CHEMBL531 ChEMBL_ID
CHEMBL1275 ChEMBL_ID
DB01186 DRUGBANK_ID
D010479 MESH_DESCRIPTOR_UI
47811 PUBCHEM_CID
48 IUPHAR_LIGAND_ID
4651 INN_ID
24MJ822NZ9 UNII
203553 RXNORM
2257 MMSL
45580 MMSL
5259 MMSL
d00977 MMSL
003442 NDDF
003443 NDDF
108468004 SNOMEDCT_US
108469007 SNOMEDCT_US
372498008 SNOMEDCT_US

Pharmaceutical products:

None