General
Preferred name
PD048535
Synonyms
2-Methyl-5-hydroxytryptamine maleate ()
2-Methyl-5-hydroxytryptamine hydrochloride ()
2-methyl-5-hydroxytryptamine ()
5-HT,2-Me ()
2-methyl-5-HT ()
2-Methylserotonin ()
2-Me-5-HT ()
P&D ID
PD048535
CAS
78263-90-8
845861-49-6
Tags
available
drug candidate
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 5-HT3 Serotonin receptor agonist (LOPAC library)
DESCRIPTION 5-HT3 agonist/potent 5-HT6 ligand (Tocriscreen Total)
DESCRIPTION 2-Methyl-5-hydroxytryptamine hydrochloride is a 5-HT3 agonist (Ki = 1200 nM) and potent 5-HT6 ligand (Ki = 46 nM). It affects the gut functions including secretion, muscle contraction and enteric nervous activity. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
16
BOC Sciences Bioactive Compounds
2-methyl-5-hydroxytryptamine-hydrochloride-cas-845861-49-6-item-169995
Concise Guide to Pharmacology 2017/18
218
Concise Guide to Pharmacology 2019/20
218
Concise Guide to Pharmacology 2021/22
218
Concise Guide to Pharmacology 2023/24
218
Drug Repurposing Hub
DrugMAP
DM1S5CB
DrugMatrix
Guide to Pharmacology
218
Ki Database
5-HT,2-Me
LOPAC library
Mcule NIBR MoA Box Subset
MCULE-5329313088
MedChem Express Bioactive Compound Library
HY-19358
Novartis Chemogenetic Library (NIBR MoA Box)
Tocriscreen Total
ZINC Tool Compounds
ZINC000002572146
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
190.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
1.68
TPSA
62.04
Fraction CSP3
0.27
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
5-HT3
Member status
virtual
Target
HTR1B, HTR1D, HTR1E, HTR1F, HTR3A, HTR3B, HTR6
5-HT Receptor
MOA
serotonin receptor agonist
Pathway
GPCR/G protein
Neuronal Signaling
Source data