Compound Detail
CHEMBL475600
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Basic Information
| ChEMBL ID | CHEMBL475600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHVZOXZMVPDEDV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
6.80
ALogP
5
HBA
2
HBD
62.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.69 | 6.69 | 203.0 | 1 |
| BT-474 CHEMBL614529 | IC50 | 5.7 | 5.7 | 1980.0 | 1 |
| HN5 CHEMBL614828 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 115.0 | nM | 6.94 | Inhibition of EGFR | 19111461 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 203.0 | nM | 6.69 | Inhibition of ErbB2 | 19111461 |
| BT-474 | IC50 | = | 1980.0 | nM | 5.7 | Antiproliferative activity against human BT474 cells expressing ErbB2 by MEB ass... | 19111461 |
| HN5 | IC50 | = | 2710.0 | nM | 5.57 | Antiproliferative activity against human HN5 cells expressing EGFR by MEB assay | 19111461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111461 | 10.1016/j.bmcl.2008.12.011 | Epidermal growth factor receptor | 1 |
| 19111461 | 10.1016/j.bmcl.2008.12.011 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 19111461 | 10.1016/j.bmcl.2008.12.011 | HN5 | 1 |
| 19111461 | 10.1016/j.bmcl.2008.12.011 | BT-474 | 1 |
| 19111461 | 10.1016/j.bmcl.2008.12.011 | HFF | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine