Compound Detail
CHEMBL168921
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Basic Information
| ChEMBL ID | CHEMBL168921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDCRNOXQNBDLGB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.57
ALogP
7
HBA
2
HBD
106.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 5.0 | nM | 8.3 | Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine... | 11277536 |
| Tyrosine-protein kinase ABL | IC50 | = | 58.0 | nM | 7.24 | Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzym... | 11277536 |
| Epidermal growth factor receptor | IC50 | = | 2200.0 | nM | 5.66 | Concentration required for inhibition of epidermal growth factor receptor (EGF-R... | 11277536 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3100.0 | nM | 5.51 | 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 | 2 |
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Tyrosine-protein kinase ABL | 1 |
Data from ChEMBL 36 via Core Engine