General
Preferred name
MESULERGINE
Synonyms
Mesulergine hydrochloride ()
Mesulergine HCl ()
Mesulergina ()
P&D ID
PD049332
CAS
72786-12-0
64795-35-3
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
2.0
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
Mesulergine hydrochloride is a 5-HT2A and 2C receptor antagonist (pA2= 9.1 for each receptor). Mesulergine hydrochloride is also a D2-like dopamine receptor partial agonist and a SR-2A/SR-2C antagonist. It displays antiprolactin and antiparkinsonian effects in vivo.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Potent and selective 5-HT4 antagonist; active in vivo
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
8
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
EUbOPEN Chemogenomics Library
Guide to Pharmacology
ReFrame library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Molecular Weight
362.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
1.29
TPSA
57.58
Fraction CSP3
0.56
Chiral centers
3.0
Largest ring
6.0
QED
0.9
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
5-HT2A Receptors
MOA
Antagonist
Dopamine Receptor agonist
Target
HTR2A, HTR2B, HTR2C, HTR3A, HTR3B, HTR6, HTR7
Solubility
DMSO to 100 mM
water to 5 mM with gentle warming
Recommended Cell Concentration
None
Source data
