Compound Detail
CHEMBL13608
TOCERANIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL13608 |
| Name | TOCERANIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SRSGVKWWVXWSJT-ATVHPVEESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
3
Known Names
Molecular Properties
396.5
MW (Da)
3.09
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2096980 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Serine/threonine-protein kinase tousled-like 2 CHEMBL5404 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Platelet-derived growth factor receptor beta (PDGF-Rbeta) | 12646019 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Vascular endothelial growth factor receptor in 3T3 cells | 12646019 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Vascular endothelial growth factor receptor 2 | 12646019 |
| Platelet-derived growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Platelet-derived growth factor induced 3T3 cell proliferation | 12646019 |
| Serine/threonine-protein kinase tousled-like 2 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of TLK2 (unknown origin) | 38636130 |
| Fibroblast growth factor receptor 1 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of Fibroblast growth factor receptor 1 | 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 |
| 38636130 | 10.1016/j.ejmech.2024.116357 | Serine/threonine-protein kinase tousled-like 2 | 1 |
Data from ChEMBL 36 via Core Engine