Compound Detail
CHEMBL167890
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Basic Information
| ChEMBL ID | CHEMBL167890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRRKXQSEZMFNPY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
3.35
ALogP
9
HBA
1
HBD
87.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.55 | 7.035 | 28.0 | 2 |
| A549 CHEMBL392 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.09 | 5.09 | 8160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 28.0 | nM | 7.55 | In vitro inhibitory concentration against src-tyrosine kinase | 14761189 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 300.0 | nM | 6.52 | Inhibition of c-Src transfected 3T3 cell proliferation | 14761189 |
| A549 | IC50 | = | 450.0 | nM | 6.35 | In vitro inhibitory concentration against proliferation of A459 cell line. | 14761189 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8160.0 | nM | 5.09 | In vitro inhibitory concentration against VEGF receptor 2. | 14761189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761189 | 10.1021/jm030317k | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 14761189 | 10.1021/jm030317k | Vascular endothelial growth factor receptor 2 | 1 |
| 14761189 | 10.1021/jm030317k | A549 | 1 |
Data from ChEMBL 36 via Core Engine