Compound Detail
CHEMBL408565
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Basic Information
| ChEMBL ID | CHEMBL408565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIFWWQUQNGQSLH-ZROIWOOFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
3.76
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4920.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of VEGFR2 | 18077363 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of mouse KDR | 18077363 |
| Platelet-derived growth factor receptor beta | IC50 | = | 920.0 | nM | 6.04 | Inhibition of bPDGFR in human PAC1 cells | 18077363 |
| Unchecked | IC50 | = | 4920.0 | nM | 5.31 | Inhibition of P60cSrc | 18077363 |
| Epidermal growth factor receptor | IC50 | = | 13300.0 | nM | 4.88 | Inhibition of wild type EGFR | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Epidermal growth factor receptor | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Vascular endothelial growth factor receptor 2 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Dual specificity protein kinase CLK2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Dual specificity protein kinase CLK1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 25 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase-like 1 | 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 delta | 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 |
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine