Compound Detail
CHEMBL287591
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Basic Information
| ChEMBL ID | CHEMBL287591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSEFNFDMTWKPLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
5.38
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL3848 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of rat Receptor protein-tyrosine kinase erbB2 | 11378364 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of c-erbB-2 overexpressing HB4a cell proliferation | 11378364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378364 | 10.1016/s0960-894x(01)00219-0 | Receptor tyrosine-protein kinase erbB-2 | 2 |
| 11378364 | 10.1016/s0960-894x(01)00219-0 | Epidermal growth factor receptor and ErbB2 (HER1 and HER2) | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine