terguride indications/contra

Stem definitionDrug idCAS RN
ergot alkaloid derivatives 2601 37686-84-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • terguride hydrogen maleate
  • dironyl
  • transdihydrolisuride
  • dironyl maleate
  • terguride
  • tergurid
pronounced antifertility agent in rats; lactation suppressor in other species; serotonin antagonist; RN given refers to parent cpd; structure
  • Molecular weight: 340.47
  • Formula: C20H28N4O
  • CLOGP: 2.78
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 2
  • TPSA: 51.37
  • ALOGS: -3.59
  • ROTB: 3

Drug dosage:

None

Approvals:

DateAgencyCompanyOrphan
None PMDA

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC G02CB06 GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
OTHER GYNECOLOGICALS
Prolactine inhibitors
MeSH PA D015259 Dopamine Agents
MeSH PA D018491 Dopamine Agonists
MeSH PA D018377 Neurotransmitter Agents

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Pulmonary arterial hypertension indication 11399002
Chronic thromboembolic pulmonary hypertension indication 233947005

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 13.07 acidic
pKa2 13.69 acidic
pKa3 8.0 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
5-hydroxytryptamine receptor 2A GPCR AGONIST Ki 8.30 IUPHAR SCIENTIFIC LITERATURE
5-hydroxytryptamine receptor 2B GPCR ANTAGONIST Ki 8.20 IUPHAR SCIENTIFIC LITERATURE
Alpha-2B adrenergic receptor GPCR ANTAGONIST Ki 9.40 IUPHAR
Alpha-2C adrenergic receptor GPCR ANTAGONIST Ki 9.10 IUPHAR
D(2) dopamine receptor GPCR AGONIST Ki 9.10 IUPHAR
D(3) dopamine receptor GPCR AGONIST Ki 9 IUPHAR
Alpha-1A adrenergic receptor GPCR ANTAGONIST Ki 8.50 IUPHAR
5-hydroxytryptamine receptor 1A GPCR AGONIST Ki 8.50 IUPHAR
D(4) dopamine receptor GPCR ANTAGONIST Ki 8.10 IUPHAR
5-hydroxytryptamine receptor 1D GPCR AGONIST Ki 7.80 IUPHAR
5-hydroxytryptamine receptor 2C GPCR ANTAGONIST Ki 7.30 IUPHAR
5-hydroxytryptamine receptor 1B GPCR AGONIST Ki 6.60 IUPHAR
Beta-2 adrenergic receptor GPCR Ki 7.70 PDSP
D(1B) dopamine receptor GPCR Ki 7.63 PDSP
D(1A) dopamine receptor GPCR Ki 7.55 PDSP
Alpha-1B adrenergic receptor GPCR Ki 7.46 PDSP
Alpha-1D adrenergic receptor GPCR Ki 8.41 PDSP
Beta-1 adrenergic receptor GPCR Ki 6.18 PDSP
Alpha-2A adrenergic receptor GPCR ANTAGONIST Ki 9.50 IUPHAR
5-hydroxytryptamine receptor 1A GPCR IC50 7.60 CHEMBL
D(1A) dopamine receptor GPCR IC50 7.16 CHEMBL
D(2) dopamine receptor GPCR IC50 8.40 CHEMBL

External reference:

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IDSource
56 IUPHAR_LIGAND_ID
D01348 KEGG_DRUG
21OJT43Q88 UNII
5437 INN_ID
CHEMBL73151 ChEMBL_ID
443951 PUBCHEM_CID
C006208 MESH_SUPPLEMENTAL_RECORD_UI
37686-85-4 SECONDARY_CAS_RN
CHEBI:32193 CHEBI

Pharmaceutical products:

None