Compound Detail
CHEMBL311129
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Basic Information
| ChEMBL ID | CHEMBL311129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUHVLNRNLVTOCF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
5.33
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.0 | 6.61 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory activity against epidermal growth factor receptor | 8691423 |
| Epidermal growth factor receptor | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing E... | 8691423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691423 | 10.1021/jm960118j | Epidermal growth factor receptor | 2 |
| 8691423 | 10.1021/jm960118j | Tyrosine-protein kinase ABL | 1 |
| 8691423 | 10.1021/jm960118j | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 8691423 | 10.1021/jm960118j | Protein kinase C alpha type | 1 |
| 8691423 | 10.1021/jm960118j | Balb/MK | 1 |
| 8691423 | 10.1021/jm960118j | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine