Compound Detail
CHEMBL4441244
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Basic Information
| ChEMBL ID | CHEMBL4441244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSGCQHSBQMZVQA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.1
MW (Da)
7.17
ALogP
7
HBA
2
HBD
87.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | IC50 | 6.55 | 6.405 | 284.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 199.0 | nM | 6.7 | Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit r... | 31023512 |
| Receptor tyrosine-protein kinase erbB-4 | IC50 | = | 284.0 | nM | 6.55 | Inhibition of HER4 (unknown origin) in presence of radiolabelled gammaATP by rad... | 32631510 |
| Receptor tyrosine-protein kinase erbB-4 | IC50 | = | 550.0 | nM | 6.26 | Kinase assay: KINOMEscan is based on a competition binding assay that quantitati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31023512 | 10.1016/j.bmcl.2019.04.029 | Epidermal growth factor receptor | 2 |
| 32631510 | 10.1016/j.bmcl.2020.127288 | Receptor tyrosine-protein kinase erbB-4 | 1 |
Data from ChEMBL 36 via Core Engine