Compound Detail
CHEMBL5570443
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Basic Information
| ChEMBL ID | CHEMBL5570443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIHHASRXEFINIJ-FNORWQNLSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
515.0
MW (Da)
5.01
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.84 | 8.84 | 1.4 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| NCI-N87 CHEMBL614197 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.97 | 7.97 | 10.8 | 1 |
| BT-474 CHEMBL614529 | IC50 | 7.73 | 7.73 | 18.6 | 1 |
| HCC827 CHEMBL4296422 | IC50 | 7.37 | 7.37 | 42.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.44 | nM | 8.84 | Inhibition of wild type EGFR (unknown origin) using 4 x ULightTM-labeled JAK-1 (... | 38518121 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 1.55 | nM | 8.81 | Inhibition of wild type HER2 (unknown origin) using 4 x ULightTM-labeled Ploy GT... | 38518121 |
| NCI-N87 | IC50 | = | 8.47 | nM | 8.07 | Antiproliferative activity against human NCI-N87 cells by CellTiter-Glo assay | 38518121 |
| BaF3 | IC50 | = | 10.8 | nM | 7.97 | Antiproliferative activity against mouse BaF3 cells harboring HER2 YVMA mutant b... | 38518121 |
| BT-474 | IC50 | = | 18.55 | nM | 7.73 | Antiproliferative activity against human BT-474 cells by CellTiter-Glo assay | 38518121 |
| HCC827 | IC50 | = | 42.82 | nM | 7.37 | Antiproliferative activity against human HCC827 cells by CellTiter-Glo assay | 38518121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38518121 | 10.1021/acs.jmedchem.3c02302 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 38518121 | 10.1021/acs.jmedchem.3c02302 | BaF3 | 1 |
| 38518121 | 10.1021/acs.jmedchem.3c02302 | Epidermal growth factor receptor | 1 |
| 38518121 | 10.1021/acs.jmedchem.3c02302 | HCC827 | 1 |
| 38518121 | 10.1021/acs.jmedchem.3c02302 | BT-474 | 1 |
| 38518121 | 10.1021/acs.jmedchem.3c02302 | NCI-N87 | 1 |
Data from ChEMBL 36 via Core Engine