Compound Detail
CHEMBL3633928
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Basic Information
| ChEMBL ID | CHEMBL3633928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUROJPARIBKVDY-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
5.24
ALogP
5
HBA
3
HBD
102.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.69 | 7.2025 | 2.0 | 4 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.57 | 7.055 | 26.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2.03 | nM | 8.69 | Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence ba... | 27288180 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 26.8 | nM | 7.57 | Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed... | 27288180 |
| Epidermal growth factor receptor | IC50 | = | 99.0 | nM | 7.0 | Inhibition of EGFR (unknown origin) after 120 mins by HotSpot assay | 26475520 |
| Epidermal growth factor receptor | IC50 | = | 186.0 | nM | 6.73 | Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells ass... | 27288180 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 287.0 | nM | 6.54 | Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay | 26475520 |
| Epidermal growth factor receptor | IC50 | = | 407.0 | nM | 6.39 | Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells ... | 27288180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27288180 | 10.1016/j.bmc.2016.05.063 | Epidermal growth factor receptor | 3 |
| 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 | BT-474 | 1 |
| 27288180 | 10.1016/j.bmc.2016.05.063 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine