Compound Detail
CHEMBL258726
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Basic Information
| ChEMBL ID | CHEMBL258726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUEUMQIBGLKJJD-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.08
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Eukaryotic elongation factor 2 kinase CHEMBL5026 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 820.0 | nM | 6.09 | Antiproliferative activity against rat lung endothelial cells by MTT assay | 18474428 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of Src | 18077363 |
| Eukaryotic elongation factor 2 kinase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of eEF2 kinase | 18077363 |
| Unchecked | IC50 | = | 9600.0 | nM | 5.02 | Inhibition of PKA | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Dual specificity protein kinase CLK1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase Chk2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 25 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 6 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1G | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 18474428 | 10.1016/j.bmc.2008.04.041 | ADMET | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine