Compound Detail
CHEMBL169065
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Basic Information
| ChEMBL ID | CHEMBL169065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQMVMHITWPJRIL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
2.50
ALogP
8
HBA
1
HBD
95.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.1 | 7.09 | 79.4 | 2 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 79.43 | nM | 7.1 | Inhibition of c-Src | 18722033 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 84.0 | nM | 7.08 | Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine... | 11277536 |
| Tyrosine-protein kinase ABL | IC50 | = | 1000.0 | nM | 6.0 | Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzym... | 11277536 |
| Epidermal growth factor receptor | IC50 | = | 1470.0 | nM | 5.83 | Concentration required for inhibition of epidermal growth factor receptor (EGF-R... | 11277536 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2800.0 | nM | 5.55 | Concentration required for inhibition of c-Src mediated phosphorylation of Fak i... | 11277536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Epidermal growth factor receptor | 1 |
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Tyrosine-protein kinase ABL | 1 |
| 18722033 | 10.1016/j.ejmech.2008.07.002 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine