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A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.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 90.24 43.38 20 624 5950 46679468
Mitral valve incompetence 76.27 43.38 22 622 18830 46666588
Tricuspid valve incompetence 64.43 43.38 18 626 13699 46671719
Parkinson's disease 57.87 43.38 11 633 1528 46683890
Mitral valve disease 53.89 43.38 11 633 2201 46683217
Cardiac valve disease 47.44 43.38 11 633 3973 46681445
Retroperitoneal fibrosis 44.14 43.38 7 637 336 46685082

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 114.75 40.73 23 929 1817 29949709
Dopamine dysregulation syndrome 93.91 40.73 16 936 512 29951014
Aortic valve incompetence 87.22 40.73 22 930 4901 29946625
Mitral valve incompetence 81.99 40.73 26 926 13208 29938318
Hypersexuality 77.38 40.73 16 936 1471 29950055
Cardiac valve disease 61.34 40.73 15 937 2934 29948592
Tricuspid valve incompetence 49.48 40.73 16 936 8607 29942919
Parkinson's disease 42.15 40.73 10 942 1718 29949808
Dyskinesia 41.46 40.73 18 934 21816 29929710

Pharmacologic Action:

SourceCodeDescription
ATC N04BC02 NERVOUS SYSTEM
ANTI-PARKINSON DRUGS
DOPAMINERGIC AGENTS
Dopamine agonists
FDA CS M0007656 Ergot Alkaloids
FDA MoA N0000000117 Dopamine Agonists
FDA EPC N0000175767 Ergot-derived Dopamine Receptor Agonist
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

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
D00502 KEGG_DRUG
66104-23-2 SECONDARY_CAS_RN
4019530 VANDF
4019883 VANDF
C0701027 UMLSCUI
CHEBI:63617 CHEBI
CHEMBL531 ChEMBL_ID
CHEMBL1275 ChEMBL_ID
D010479 MESH_DESCRIPTOR_UI
DB01186 DRUGBANK_ID
48 IUPHAR_LIGAND_ID
4651 INN_ID
24MJ822NZ9 UNII
47812 PUBCHEM_CID
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