e-Drug3D

1219

METHYSERGIDE

DISCONTINUED

INN
METHYSERGIDE

cas 361-37-5

CLASS

NERVOUS SYSTEM
VASOCONSTRICTOR
ANTIMIGRAINE
SEROTONIN ANTAGONISTS
SYMPATHOLYTICS
5-HYDROXYTRYPTAMINE RECEPTORS ANATGONISTS
HALLUCINOGENIC PMID22486742

ROUTE (list)

ORAL

ATC code

N02CA04

PK parameters

Target

TARGET 5-HYDROXYTRYPTAMINE 1A RECEPTOR
5-HYDROXYTRYPTAMINE 2A RECEPTOR
5-HYDROXYTRYPTAMINE 2C RECEPTOR
5-HYDROXYTRYPTAMINE 7 RECEPTOR

PDB
6DRZ (STRUCTURAL DETERMINANTS OF ACTIVATION AND BIASED AGONISM AT THE 5-HT2B RECEPTOR)

Ligand code = H8J (link to the list of PDB complexes)

Download experimental 3D coordinates of H8J with added hydrogens

DrugCentral

5-hydroxytryptamine receptor 2B UNIPROT P41595 HTR2B

5-hydroxytryptamine receptor 2C UNIPROT P28335 HTR2C

Download SDF file

Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8.beta.)-

Formula:
C21H27N3O2

Calculated chemical properties:

MW 353.46
NB_atoms 26
XLogP 1.94
PSA 57.411
NB_HD 2
NB_HA 5
fsp3 0.48
Lipinski(0=no;1=yes) 1

FDA
NDA 012516 (pdf not found) INN (METHYSERGIDE MALEATE) SANSERT (NOVARTIS) APPROVAL= AP YEAR= 1962 DISCONTINUED