General
Preferred name
methylergometrine
Synonyms
methylergonovine()
METHYLERGONOVINE MALEATE()
Methylergometrine maleate()
Metenarin()
NSC-757104()
METHERGINE()
Ergotyl()
Methylergometrine()
Metilergometrina()
P&D ID
PD010085
CAS
57432-61-8
113-42-8
Tags
available
biased GPCR ligand
drug
Approved by
FDA
First approval
1946
Drug indication
hemorrhage
Spontaneous abortion
Drug Status
approved
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Methylergonovine is a synthetic analogue of the natural ergot alkaloid, . It acts through interaction with multiple molecular targets, including adrenoceptors, dopamine receptors, and 5-HT receptors. (GtoPdb)
DESCRIPTION 5-HT1A antagonist (Tocris Bioactive Compound Library)
DESCRIPTION Dopamine antagonist; ergot alkaloid which interacts with serotonergic, dopaminergic and alpha-adrenergic systems (LOPAC library)
DESCRIPTION Active metabolite of methysergide (Cat. No. 1064) (Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
22
BiasDB
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Guide to Pharmacology
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
NCATS Inxight Approved Drugs
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Tocris Bioactive Compound Library
Tocriscreen Total
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Molecular Weight
339.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
2
cLogP
1.92
TPSA
68.36
Fraction CSP3
0.45
Chiral centers
3.0
Largest ring
6.0
QED
0.8
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
MOA
Dopamine Receptor agonist Dopamine Receptor antagonist dopamine receptor antagonist, serotonin receptor antagonist
Target
Dopamine D1 receptor Serotonin 2b (5-HT2b) receptor DRD1, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C
Primary Target
Non-selective 5-HT
Disease Area
hematology, neurology/psychiatry
Indication
postpartum hemorrhage (PPH), migraine headache
Therapeutic Class
Oxytocics
Source data
