Compound Detail
CHEMBL1254285
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Basic Information
| ChEMBL ID | CHEMBL1254285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCVASMRHHADGSC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
4.65
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.21 | 5.21 | 6220.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.55 | 4.55 | 27900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of PDGFRbeta expressed in human A431 cells | 20558072 |
| NON-PROTEIN TARGET | IC50 | = | 6220.0 | nM | 5.21 | Antiangiogenic activity in fertilized chicken egg by CAM assay | 20558072 |
| A-431 | IC50 | = | 27900.0 | nM | 4.55 | Cytotoxicity against human A431 cells | 20558072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20558072 | 10.1016/j.bmc.2010.05.049 | Epidermal growth factor receptor | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | Vascular endothelial growth factor receptor 2 | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | Platelet-derived growth factor receptor beta | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | A-431 | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine