Compound Detail
CHEMBL48554
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Basic Information
| ChEMBL ID | CHEMBL48554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GONCOGHZCWCVGP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.43
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.29 | 5.29 | 5150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 42.0 | nM | 7.38 | Inhibition of human p56 Lck tyrosine kinase (lck64-509) | 12039590 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Src protein tyrosine kinase | 12039590 |
| Angiopoietin-1 receptor | IC50 | = | 5150.0 | nM | 5.29 | Inhibition of TIE-2 kinase | 12039590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Tyrosine-protein kinase Lck | 1 |
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Vascular endothelial growth factor receptor 2 | 1 |
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine