methylergonovine

Ligand id: 150

Name: methylergonovine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 68.36
Molecular weight 339.19
XLogP 1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1946))
IUPAC Name
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
International Nonproprietary Names
INN number INN
2900 methylergometrine
Synonyms
Methergine® | methylergobasin
Database Links
CAS Registry No. 113-42-8
ChEMBL Ligand CHEMBL1201356
DrugBank Ligand DB00353
PubChem CID 8226
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Search PubMed clinical trials methylergometrine
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Search UniChem for chemical match using the InChIKey UNBRKDKAWYKMIV-QWQRMKEZSA-N
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Wikipedia Methylergonovine
Comments
Methylergonovine is a synthetic analogue of the natural ergot alkaloid, ergometrine. It acts through interaction with multiple molecular targets, including adrenoceptors, dopamine receptors, and 5-HT receptors.