METHYSERGIDE MALEATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2U7H1466GH

Structure
InChI Key LWYXFDXUMVEZKS-ZVFOLQIPSA-N
Smile CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31N3O6
Molecular Weight 469.54
AlogP 1.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 57.5
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Serotonin 1a (5-HT1a) receptor partial agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
237200 - - - -
Ion channel Other ion channel Miscellaneous ion channel Bcl-2 family
- 22633 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
1075 - - 0.7943 -
Other cytosolic protein
- 20377 - - -
Transcription factor
10281-14302 - - - -
Unclassified protein
- 32230 - - -

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.17
Nervous system disorders
14.29
Psychiatric disorders
14.29
Cardiac disorders
10.92
Vascular disorders
8.4
Gastrointestinal disorders
5.04
Injury, poisoning and procedural complications
4.2
Musculoskeletal and connective tissue disorders
4.2
Surgical and medical procedures
4.2
Social circumstances
3.36
Metabolism and nutrition disorders
2.52

Cross References

Resources Reference
ChEBI 584020
ChEMBL CHEMBL3989558
FDA SRS 2U7H1466GH
Guide to Pharmacology 134
KEGG C07199
PubChem 5281073
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