Compound Detail
CHEMBL3633933
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Basic Information
| ChEMBL ID | CHEMBL3633933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STQXJADJAGHYFB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.9
MW (Da)
5.14
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.64 | 6.64 | 227.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.86 | 5.86 | 1390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 227.0 | nM | 6.64 | Inhibition of EGFR (unknown origin) after 120 mins by HotSpot assay | 26475520 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 1390.0 | nM | 5.86 | Inhibition of HER2 (unknown origin) after 120 mins by HotSpot assay | 26475520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Epidermal growth factor receptor | 1 |
| 26475520 | 10.1016/j.bmcl.2015.10.003 | Receptor tyrosine-protein kinase erbB-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