alpha-Ergocryptine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
ergot alkaloid derivatives 885 511-09-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • alpha ergocryptine
  • ergocryptine
  • ergokryptine
  • alpha-Ergocryptine
  • alpha-Ergokryptine
a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer)
  • Molecular weight: 575.71
  • Formula: C32H41N5O5
  • CLOGP: 5.50
  • LIPINSKI: 2
  • HAC: 10
  • HDO: 3
  • TPSA: 118.21
  • ALOGS: -3.26
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D015259 Dopamine Agents
MeSH PA D018491 Dopamine Agonists
MeSH PA D018377 Neurotransmitter Agents

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.4 acidic
pKa2 13.08 acidic
pKa3 6.51 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 6.01 DRUG MATRIX
D(1A) dopamine receptor GPCR Ki 6.70 DRUG MATRIX
D(2) dopamine receptor GPCR Ki 9.19 DRUG MATRIX
Alpha-2A adrenergic receptor GPCR Ki 8.53 DRUG MATRIX
Cytochrome P450 3A4 Enzyme IC50 6.22 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR Ki 8.82 DRUG MATRIX
5-hydroxytryptamine receptor 2A GPCR Ki 7.85 DRUG MATRIX
5-hydroxytryptamine receptor 2B GPCR Ki 8.09 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 7.11 DRUG MATRIX
5-hydroxytryptamine receptor 6 GPCR Ki 8.12 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 7.92 DRUG MATRIX
D(3) dopamine receptor GPCR Ki 9.70 DRUG MATRIX
Beta-3 adrenergic receptor GPCR Ki 5.73 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 8.26 DRUG MATRIX
Alpha-1D adrenergic receptor GPCR Ki 8.37 DRUG MATRIX
Cytochrome P450 2C9 Enzyme IC50 5.22 DRUG MATRIX
Alpha-1B adrenergic receptor GPCR Ki 8.10 DRUG MATRIX
5-hydroxytryptamine receptor 1B GPCR Ki 8.30 DRUG MATRIX
Alpha-1A adrenergic receptor GPCR IC50 7.96 CHEMBL
5-hydroxytryptamine receptor 1A GPCR IC50 8.58 CHEMBL

External reference:

IDSource
C0102544 UMLSCUI
CHEBI:10276 CHEBI
CHEMBL1403281 ChEMBL_ID
C100269 MESH_SUPPLEMENTAL_RECORD_UI
134551 PUBCHEM_CID
60972B4V0Y UNII
6WFB60157B UNII
AH6LF5DVAK UNII
OWA753099R UNII

Pharmaceutical products:

None