General
Preferred name
methylergometrine
Synonyms
methylergonovine ()
METHYLERGONOVINE MALEATE ()
Methylergometrine maleate ()
NSC-757104 ()
METHERGINE ()
Methylergonovinium Bimaleate ()
Methylergometrine ()
Ergotyl ()
P&D ID
PD010085
CAS
57432-61-8
113-42-8
Tags
drug
natural product
biased GPCR ligand
available
Approved by
FDA
First approval
1946
Drug Status
approved
Drug indication
Spontaneous abortion
Oxytocic
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.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 Dopamine antagonist; ergot alkaloid which interacts with serotonergic, dopaminergic and alpha-adrenergic systems (LOPAC library)
DESCRIPTION 5-HT1A antagonist (Tocris Bioactive Compound Library)
DESCRIPTION Active metabolite of methysergide (Cat. No. 1064) (Tocriscreen Total)
Cell lines
0
Organisms
1
Compound Sets
21
BiasDB
Methylergometrine
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL1200843
CHEMBL1201356
ChEMBL Drugs
CHEMBL1200843
CHEMBL1201356
Drug Repurposing Hub
DrugBank
DB00353
DrugBank Approved Drugs
DB00353
DrugCentral
1764
DrugCentral Approved Drugs
1764
DrugMAP
DMBEX4O
DrugMAP Approved Drugs
DMBEX4O
Guide to Pharmacology
150
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1200843
CHEMBL1201356
NCATS Inxight Approved Drugs
W53L6FE61V
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Tocris Bioactive Compound Library
0549
Tocriscreen Total
ZINC Tool Compounds
ZINC000095619105
External IDs
52
Properties
(calculated by RDKit )
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