Compound Detail
CHEMBL168382
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Basic Information
| ChEMBL ID | CHEMBL168382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOEZGPVMIDNCJZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.80
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 8.7 | 7.735 | 2.0 | 2 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2.0 | nM | 8.7 | Inhibition of p60 c-Src tyrosine kinase activity | 11277535 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1.995 | nM | 8.7 | Inhibition of c-Src | 18722033 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 170.0 | nM | 6.77 | Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1... | 11277535 |
| Tyrosine-protein kinase ABL | IC50 | = | 170.0 | nM | 6.77 | Inhibition of v-Abl tyrosine kinase activity | 11277535 |
| Epidermal growth factor receptor | IC50 | = | 460.0 | nM | 6.34 | Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity | 11277535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277535 | 10.1016/s0960-894x(01)00079-8 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 11277535 | 10.1016/s0960-894x(01)00079-8 | Epidermal growth factor receptor | 1 |
| 11277535 | 10.1016/s0960-894x(01)00079-8 | 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