General
Preferred name
ML079
Synonyms
12-(3,4-dimethoxyphenyl)-10-[2-(morpholin-4-yl)ethyl]-10,12-dihydro-11H-benzo[5,6]chromeno[2,3-d]pyr ()
P&D ID
PD016047
Tags
available
probe
Probe info
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
2
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
The goal of this project is to identify antagonists for neuropeptide S receptor as research probes to further study the functions of NPS receptor in animal models.
(MLP Probes)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
CZ-OPENSCREEN Bioactive Library
MLP Probes
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Molecular Weight
498.23
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
6
Aromatic Ring Count
4
cLogP
4.15
TPSA
81.83
Fraction CSP3
0.31
Chiral centers
1.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Antitarget
Muscarinic acetylcholine receptor M1
Target
neuropeptide S receptor
Source data
