Compound Detail
CHEMBL3633929
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Basic Information
| ChEMBL ID | CHEMBL3633929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCMIPNLNEAFFHI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
4.96
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of EGFR (unknown origin) after 120 mins by HotSpot assay | 26475520 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay | 26475520 |
| Tyrosine-protein kinase Lck | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of LCK (unknown origin) after 120 mins by HotSpot assay | 26475520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Epidermal growth factor receptor | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Cyclin-dependent kinase 2 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Hepatocyte growth factor receptor | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Focal adhesion kinase 1 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Fibroblast growth factor receptor 1 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Insulin-like growth factor 1 receptor | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Vascular endothelial growth factor receptor 2 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Tyrosine-protein kinase Lck | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | cAMP-dependent protein kinase (PKA) | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Mitogen-activated protein kinase 14 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | MAP kinase-activated protein kinase 2 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | BT-474 | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine