Compound Detail
CHEMBL32464
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Basic Information
| ChEMBL ID | CHEMBL32464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTDOKRXSUWPVDY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.84
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL3848 | IC50 | 6.25 | 6.25 | 560.0 | 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 | = | 560.0 | nM | 6.25 | 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 |
Data from ChEMBL 36 via Core Engine