Compound Detail
CHEMBL168550
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Basic Information
| ChEMBL ID | CHEMBL168550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWUSYQHQSFRUMW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.22
ALogP
7
HBA
3
HBD
98.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 7.7 | 7.11 | 20.0 | 2 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20.0 | nM | 7.7 | Inhibition of p60 c-Src tyrosine kinase activity | 11277535 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 300.0 | nM | 6.52 | Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1... | 11277535 |
| Tyrosine-protein kinase ABL | IC50 | = | 420.0 | nM | 6.38 | Inhibition of v-Abl tyrosine kinase activity | 11277535 |
| Epidermal growth factor receptor | IC50 | = | 490.0 | nM | 6.31 | 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 |
Data from ChEMBL 36 via Core Engine