Compound Detail
CHEMBL67598
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Basic Information
| ChEMBL ID | CHEMBL67598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRYULLMPWHIEHI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.69
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.04 | 5.04 | 9110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.58 | 4.475 | 26200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against p56 Lck tyrosine kinase at a concentration of 5 uM A... | 11012022 |
| Angiopoietin-1 receptor | IC50 | = | 580.0 | nM | 6.24 | Inhibitory activity against tie-2 at a concentration of 5 uM ATP. | 11012022 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9110.0 | nM | 5.04 | Inhibitory activity against vascular endothelial growth factor receptor 2 (VEGFR... | 11012022 |
| Unchecked | IC50 | = | 26200.0 | nM | 4.58 | Inhibition of p56 Lck tyrosine kinase, in presence of 1 mM ATP | 11012022 |
| Unchecked | IC50 | = | 43200.0 | nM | 4.37 | Inhibition of p56 Lck tyrosine kinase (catalytic domain), in presence of 1 mM AT... | 11012022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012022 | 10.1016/s0960-894x(00)00442-x | Unchecked | 3 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Tyrosine-protein kinase Lck | 2 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Vascular endothelial growth factor receptor 2 | 1 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine