General
Preferred name
AH-024
Synonyms
4-P-PDOT ()
4P-PDOT ()
P&D ID
PD017778
CAS
620170-78-7
134865-74-0
Tags
available
drug candidate
Drug indication
Discovery agent
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 4-P-PDOT is a potent, selective and affinity Melatonin receptor (MT2) antagonist. 4-P-PDOT is >300-fold more selective for MT2 than MT1. 4-P-PDOT significantly counteracts Melatonin-mediated antioxidant effects (GSH/GSSG ratio, phospho-ERK, Nrf2 nuclear translocation, Nrf2 DNA-binding activity)[1][2][3][4].
DESCRIPTION 4-P-PDOT is an antagonist of the melatonin 2 (MT2) receptor (pKi = 8.37) that displays 60-fold selectivity for MT2 over MT1. (BOC Sciences Bioactive Compounds)
DESCRIPTION MT2 antagonist (Tocriscreen Plus)
DESCRIPTION MT2 antagonist (Tocriscreen Total)
DESCRIPTION Melatonin agonist (Tocris Bioactive Compound Library)
Compound Sets
15
BOC Sciences Bioactive Compounds
4-p-pdot-cas-134865-74-0-77072
Cayman Chemical Bioactives
17411
Concise Guide to Pharmacology 2017/18
1358
Concise Guide to Pharmacology 2019/20
1358
Concise Guide to Pharmacology 2021/22
1358
Concise Guide to Pharmacology 2023/24
1358
DrugMAP
DMEMN0W
DrugMatrix
EUbOPEN Chemogenomics Library
EUB0000402
Guide to Pharmacology
1358
Ki Database
4-P-PDOT
MedChem Express Bioactive Compound Library
HY-100609
Tocris Bioactive Compound Library
1034
Tocriscreen Plus
1034
Tocriscreen Total
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
279.16
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
3.66
TPSA
29.1
Fraction CSP3
0.32
Chiral centers
2.0
Largest ring
6.0
QED
0.91
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Primary Target
Melatonin Receptors
MOA
Antagonist
Pathway
GPCR/G protein
Neuronal Signaling
Recommended Cell Concentration
10 nM
Target
Melatonin Receptor
Source data