Compound Detail
CHEMBL369360
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Basic Information
| ChEMBL ID | CHEMBL369360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXQPGVYATHJMAK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
472.9
MW (Da)
3.87
ALogP
9
HBA
1
HBD
87.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.77 | 4.77 | 17030.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 100.0 | nM | 7.0 | Inhibition of c-Src transfected 3T3 cell proliferation | 14761189 |
| A549 | IC50 | = | 180.0 | nM | 6.75 | In vitro inhibitory concentration against proliferation of A459 cell line. | 14761189 |
| Tyrosine-protein kinase CSK | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of Tyrosine-protein kinase CSK | 14761189 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 17030.0 | nM | 4.77 | In vitro inhibitory concentration against VEGF receptor 2. | 14761189 |
| Angiopoietin-1 receptor | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of Tyrosine protein kinase receptor TIE-2 | 14761189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761189 | 10.1021/jm030317k | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 14761189 | 10.1021/jm030317k | No relevant target | 2 |
| 14761189 | 10.1021/jm030317k | Vascular endothelial growth factor receptor 2 | 1 |
| 14761189 | 10.1021/jm030317k | A549 | 1 |
| 14761189 | 10.1021/jm030317k | Vascular endothelial growth factor receptor 1 | 1 |
| 14761189 | 10.1021/jm030317k | Fibroblast growth factor receptor 1 | 1 |
| 14761189 | 10.1021/jm030317k | Angiopoietin-1 receptor | 1 |
| 14761189 | 10.1021/jm030317k | Tyrosine-protein kinase CSK | 1 |
| 14761189 | 10.1021/jm030317k | Rattus norvegicus | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine