Compound Detail
CHEMBL499344
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Basic Information
| ChEMBL ID | CHEMBL499344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCULMARKDXJUJE-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
4.64
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.78 | 5.78 | 1670.0 | 3 |
| Insulin-like growth factor 1 receptor CHEMBL5381 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.5 | 4.5 | 31800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1670.0 | nM | 5.78 | Inhibition of EGFR expressed in human tumor cells | 18467105 |
| Epidermal growth factor receptor | IC50 | = | 1670.0 | nM | 5.78 | Inhibition of EGFR expressed in human A431 cells | 20558072 |
| Epidermal growth factor receptor | IC50 | = | 1670.0 | nM | 5.78 | Inhibition of EGFR | 22370340 |
| Insulin-like growth factor 1 receptor | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of IGF1R-mediated proliferation of mouse NIH/3T3 cells after 48 hrs b... | 19610618 |
| A-431 | IC50 | = | 31800.0 | nM | 4.5 | Cytotoxicity against human A431 cells | 18467105 |
| A-431 | IC50 | = | 31800.0 | nM | 4.5 | Cytotoxicity against human A431 cells | 20558072 |
| A-431 | IC50 | = | 31800.0 | nM | 4.5 | Cytotoxicity against human A431 cells overexpressing EGFR | 22370340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20558072 | 10.1016/j.bmc.2010.05.049 | Vascular endothelial growth factor receptor 2 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Platelet-derived growth factor receptor beta | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 2 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 1 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Epidermal growth factor receptor | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | A-431 | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | NON-PROTEIN TARGET | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | A-431 | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | Platelet-derived growth factor receptor beta | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Epidermal growth factor receptor | 1 |
| 20558072 | 10.1016/j.bmc.2010.05.049 | Epidermal growth factor receptor | 1 |
| 19610618 | 10.1021/jm9002395 | Insulin receptor | 1 |
| 19610618 | 10.1021/jm9002395 | Insulin-like growth factor 1 receptor | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Gallus gallus | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | A-431 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Platelet-derived growth factor receptor beta | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Vascular endothelial growth factor receptor 2 | 1 |
| 18467105 | 10.1016/j.bmc.2008.04.019 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine