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

Stem definitionDrug idCAS RN
ergot alkaloid derivatives 887 17479-19-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dihydroergocristine
  • 9,10-dihydroergocristine
  • dihydroergocristin
  • dihydroergocristine mesylate
  • dihydroergocristine mesilate
A 9,10alpha-dihydro derivative of ERGOTAMINE that contains an isopropyl sidechain at the 2' position of the molecule.
  • Molecular weight: 611.74
  • Formula: C35H41N5O5
  • CLOGP: 5.56
  • LIPINSKI: 2
  • HAC: 10
  • HDO: 3
  • TPSA: 118.21
  • ALOGS: -3.64
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1975 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC C04AE04 CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Ergot alkaloids
ATC C04AE54 CARDIOVASCULAR SYSTEM
PERIPHERAL VASODILATORS
PERIPHERAL VASODILATORS
Ergot alkaloids
MeSH PA D018663 Adrenergic Agents
MeSH PA D018674 Adrenergic Antagonists
MeSH PA D002317 Cardiovascular Agents
MeSH PA D018377 Neurotransmitter Agents
CHEBI has role CHEBI:37890 alpha-adrenergic antagonist
CHEBI has role CHEBI:35620 vasodilator agent
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 11.86 acidic
pKa2 12.83 acidic
pKa3 13.51 acidic
pKa4 7.56 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
Mu-type opioid receptor GPCR Ki 6.46 DRUG MATRIX
D(1A) dopamine receptor GPCR Ki 6.23 DRUG MATRIX
D(2) dopamine receptor GPCR Ki 9.31 DRUG MATRIX
Alpha-2A adrenergic receptor GPCR Ki 9.13 DRUG MATRIX
Cytochrome P450 3A4 Enzyme IC50 5.52 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR Ki 9.39 DRUG MATRIX
5-hydroxytryptamine receptor 2A GPCR Ki 8.37 DRUG MATRIX
5-hydroxytryptamine receptor 2B GPCR Ki 8.38 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 6.90 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 8.44 DRUG MATRIX
D(3) dopamine receptor GPCR Ki 9.11 DRUG MATRIX
Beta-3 adrenergic receptor GPCR Ki 5.61 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 8.90 DRUG MATRIX
Alpha-1D adrenergic receptor GPCR Ki 9.18 DRUG MATRIX
Cytochrome P450 2C9 Enzyme IC50 5.52 DRUG MATRIX
Cytochrome P450 2C19 Enzyme IC50 5.52 DRUG MATRIX
Alpha-1B adrenergic receptor GPCR WOMBAT-PK
5-hydroxytryptamine receptor 1D GPCR WOMBAT-PK
Alpha-1A adrenergic receptor GPCR WOMBAT-PK
5-hydroxytryptamine receptor 4 GPCR Ki 6.09 DRUG MATRIX
Alpha-1B adrenergic receptor GPCR Ki 8.90 DRUG MATRIX
5-hydroxytryptamine receptor 1B GPCR Ki 7.96 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR IC50 9.14 CHEMBL
Alpha-1A adrenergic receptor GPCR IC50 8.79 CHEMBL
5-hydroxytryptamine receptor 6 GPCR ANTAGONIST Ki 7.20 IUPHAR

External reference:

IDSource
4017834 VUID
N0000146192 NUI
C0012289 UMLSCUI
D07833 KEGG_DRUG
05D48LUM4Z UNII
3416 RXNORM
64447003 SNOMEDCT_US
4017834 VANDF
004349 NDDF
CHEMBL601773 ChEMBL_ID
24730-10-7 SECONDARY_CAS_RN
CHEBI:31490 CHEBI
278 IUPHAR_LIGAND_ID
CHEMBL1255837 ChEMBL_ID
D025442 MESH_DESCRIPTOR_UI
DB13345 DRUGBANK_ID
107715 PUBCHEM_CID

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Ergoloid Mesylates HUMAN PRESCRIPTION DRUG LABEL 4 53489-281 TABLET 0.33 mg ORAL ANDA 10 sections
Ergoloid Mesylates HUMAN PRESCRIPTION DRUG LABEL 4 68151-2780 TABLET 0.33 mg ORAL ANDA 10 sections