ergometrine ๐Ÿถ Veterinary Use | 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 ยตM/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

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC G02AB03 GENITO URINARY SYSTEM AND SEX HORMONES
OTHER GYNECOLOGICALS
UTEROTONICS
Ergot alkaloids
CHEBI has role CHEBI:27026 toxins
CHEBI has role CHEBI:33295 diagnostic aid
CHEBI has role CHEBI:36063 oxytocic agents
CHEBI has role CHEBI:76946 fungal metabolites
MeSH PA D010120 Oxytocics
MeSH PA D012102 Reproductive Control Agents

Drug Use | Suggest Off label Use Form| |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




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

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
D(2) dopamine receptor GPCR EC50 8 WOMBAT-PK
Alpha-2A adrenergic receptor GPCR Ki 6.20 DRUG MATRIX
5-hydroxytryptamine receptor 1A GPCR Ki 8.33 DRUG MATRIX
5-hydroxytryptamine receptor 2A GPCR EC50 8.50 WOMBAT-PK
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 1D GPCR EC50 9 WOMBAT-PK
Alpha-1B adrenergic receptor GPCR Kd 6.37 WOMBAT-PK
5-hydroxytryptamine receptor 1E GPCR EC50 7.70 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
4017426 VUID
N0000179118 NUI
D01163 KEGG_DRUG
129-51-1 SECONDARY_CAS_RN
4017426 VANDF
4022085 VANDF
C0014704 UMLSCUI
CHEBI:4822 CHEBI
CHEMBL119443 ChEMBL_ID
CHEMBL1213135 ChEMBL_ID
DB01253 DRUGBANK_ID
443884 PUBCHEM_CID
148 IUPHAR_LIGAND_ID
24313 RXNORM
3591 MMSL
4673 MMSL
d00586 MMSL
001305 NDDF
004940 NDDF
126071000 SNOMEDCT_US
126072007 SNOMEDCT_US
54541002 SNOMEDCT_US
D004874 MESH_DESCRIPTOR_UI
390 INN_ID
YMH3D0ZJWV UNII

Pharmaceutical products:

None