Compound Detail
CHEMBL171545
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Basic Information
| ChEMBL ID | CHEMBL171545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXOIAMLUKJBNFR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
1.92
ALogP
6
HBA
3
HBD
89.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6.0 | nM | 8.22 | Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine... | 11277536 |
| Tyrosine-protein kinase ABL | IC50 | = | 290.0 | nM | 6.54 | Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzym... | 11277536 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 800.0 | nM | 6.1 | Concentration required for inhibition of c-Src mediated phosphorylation of Fak i... | 11277536 |
| Epidermal growth factor receptor | IC50 | = | 1530.0 | nM | 5.82 | Concentration required for inhibition of epidermal growth factor receptor (EGF-R... | 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 | 2 |
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Tyrosine-protein kinase ABL | 1 |
Data from ChEMBL 36 via Core Engine