Compound Detail
CHEMBL341473
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Basic Information
| ChEMBL ID | CHEMBL341473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOZNZNKHRXRLLF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
1.02
ALogP
3
HBA
1
HBD
32.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.82 | 5.82 | 1513.6 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.55 | 5.55 | 2828.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.15 | 5.15 | 7125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | Ki | = | 1513.56 | nM | 5.82 | Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor ... | 25648685 |
| Protein-tyrosine kinase 2-beta | IC50 | = | 2828.0 | nM | 5.55 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Estrogen receptor beta | IC50 | = | 7125.86 | nM | 5.15 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25648685 | 10.1016/j.bmc.2015.01.013 | Alpha-2C adrenergic receptor | 4 |
| 11689081 | 10.1021/jm010901y | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 25648685 | 10.1016/j.bmc.2015.01.013 | Somatostatin receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine