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

Stem definitionDrug idCAS RN
ergot alkaloid derivatives 1042 60-79-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ergonovine maleate
  • ergometrine maleate
  • ergometrine
  • ergonovine
  • ergometrin
  • ergostetrine
  • ergotocine
  • ergobasine
An ergot alkaloid (ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties.
  • Molecular weight: 325.41
  • Formula: C19H23N3O2
  • CLOGP: 1.23
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 3
  • TPSA: 68.36
  • ALOGS: -3.01
  • ROTB: 3

Drug dosage:

DoseUnitRoute
0.20 mg O
0.20 mg P

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 10 mg/mL Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 0.02 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 50 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC G02AB03 GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
UTEROTONICS
Ergot alkaloids
CHEBI has role CHEBI:36063 oxytocic
CHEBI has role CHEBI:33295 diagnostic agent
MeSH PA D010120 Oxytocics
MeSH PA D012102 Reproductive Control Agents

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Postpartum hemorrhage indication 47821001
Postabortal Hemorrhage indication
Incomplete miscarriage off-label use 156072005
Hypertensive disorder contraindication 38341003 DOID:10763
Pregnancy-induced hypertension contraindication 48194001
Kidney disease contraindication 90708001 DOID:557
Seizure disorder contraindication 128613002
Cerebrovascular accident contraindication 230690007
Disease of liver contraindication 235856003 DOID:409
Sepsis syndrome contraindication 238150007
Pregnancy, function contraindication 289908002
Arteriosclerosis obliterans contraindication 361133006 DOID:5160

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.56 acidic
pKa2 13.5 acidic
pKa3 7.01 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 Ki 5.53 DRUG MATRIX
Alpha-2A adrenergic receptor GPCR Ki 6.20 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR Ki 8.33 DRUG MATRIX
5-hydroxytryptamine receptor 2B GPCR Ki 8.58 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 7.96 DRUG MATRIX
5-hydroxytryptamine receptor 6 GPCR Ki 8.82 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 6.88 DRUG MATRIX
D(3) dopamine receptor GPCR Ki 6.71 DRUG MATRIX
5-hydroxytryptamine receptor 1E GPCR EC50 7.70 WOMBAT-PK
Alpha-1B adrenergic receptor GPCR Kd 6.37 WOMBAT-PK
5-hydroxytryptamine receptor 1D GPCR EC50 9 WOMBAT-PK
5-hydroxytryptamine receptor 2A GPCR EC50 8.50 WOMBAT-PK
D(2) dopamine receptor GPCR EC50 8 WOMBAT-PK
5-hydroxytryptamine receptor 1B GPCR Ki 8.89 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR IC50 8.09 CHEMBL
5-hydroxytryptamine receptor 2A GPCR AGONIST Ki 8.50 IUPHAR

External reference:

IDSource
D004874 MESH_DESCRIPTOR_UI
4017426 VUID
N0000179118 NUI
C0059514 UMLSCUI
D01163 KEGG_DRUG
126071000 SNOMEDCT_US
54541002 SNOMEDCT_US
4021 RXNORM
d00586 MMSL
4022085 VANDF
004940 NDDF
CHEMBL119443 ChEMBL_ID
DB01253 DRUGBANK_ID
CHEBI:4822 CHEBI
WH41D8433D UNII
390 INN_ID
129-51-1 SECONDARY_CAS_RN
443884 PUBCHEM_CID
CHEMBL1213135 ChEMBL_ID
148 IUPHAR_LIGAND_ID

Pharmaceutical products:

None