Compound Detail
CHEMBL13629
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Basic Information
| ChEMBL ID | CHEMBL13629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVURVTQZRJNNOE-ATVHPVEESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
3.96
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2096980 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Platelet-derived growth factor receptor beta (PDGF-Rbeta) | 12646019 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Vascular endothelial growth factor receptor 2 | 12646019 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Vascular endothelial growth factor receptor in 3T3 cells | 12646019 |
| Platelet-derived growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Platelet-derived growth factor induced 3T3 cell proliferation | 12646019 |
| Fibroblast growth factor receptor 1 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of Fibroblast growth factor receptor 1 | 12646019 |
| Epidermal growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of epidermal growth factor receptor (EGF-R) | 12646019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646019 | 10.1021/jm0204183 | Platelet-derived growth factor receptor | 2 |
| 12646019 | 10.1021/jm0204183 | No relevant target | 2 |
| 12646019 | 10.1021/jm0204183 | Vascular endothelial growth factor receptor 2 | 1 |
| 12646019 | 10.1021/jm0204183 | Platelet-derived growth factor receptor beta | 1 |
| 12646019 | 10.1021/jm0204183 | Fibroblast growth factor receptor 1 | 1 |
| 12646019 | 10.1021/jm0204183 | Epidermal growth factor receptor | 1 |
| 12646019 | 10.1021/jm0204183 | Unchecked | 1 |
| 12646019 | 10.1021/jm0204183 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine