Compound Detail
CHEMBL1543306
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Basic Information
| ChEMBL ID | CHEMBL1543306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMEQBGAGFZDWQX-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
5.43
ALogP
3
HBA
2
HBD
44.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 6.72 | 6.7 | 190.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 190.0 | nM | 6.72 | Antagonist activity at neuropeptide Y receptor Y2 | 22607676 |
| Neuropeptide Y receptor type 2 | IC50 | = | 190.0 | nM | 6.72 | Antagonist activity at NPYY2 receptor (unknown origin) by cAMP biosensor assay | 24365162 |
| Neuropeptide Y receptor type 2 | IC50 | = | 200.0 | nM | 6.7 | Displacement of [125I]PYY from human NPY Y2 receptor expressed endogenously in K... | 21802951 |
| Neuropeptide Y receptor type 2 | IC50 | = | 220.0 | nM | 6.66 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 21802951 | 10.1016/j.bmcl.2011.06.136 | Neuropeptide Y receptor type 2 | 1 |
| 22607676 | 10.1016/j.bmcl.2012.04.107 | Neuropeptide Y receptor type 2 | 1 |
| 22607676 | 10.1016/j.bmcl.2012.04.107 | Neuropeptide Y receptor type 1 | 1 |
| 24365162 | 10.1016/j.bmcl.2013.11.061 | Neuropeptide Y receptor type 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine