Compound Detail
CHEMBL129454
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Basic Information
| ChEMBL ID | CHEMBL129454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKIPORXJATYHIG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
4.67
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.36 | 5.36 | 4400.0 | 2 |
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 5.12 | 5.12 | 7500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of human p56 Lck tyrosine kinase | 14592495 |
| Tyrosine-protein kinase Lck | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of human Lck in presence of ATP | 17154512 |
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of mouse p56 Lck tyrosine kinase | 14592495 |
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of murine Lck in presence of ATP | 17154512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592495 | 10.1016/j.bmcl.2003.08.054 | Proto-oncogene tyrosine-protein kinase LCK | 1 |
| 14592495 | 10.1016/j.bmcl.2003.08.054 | Tyrosine-protein kinase Lck | 1 |
| 17154512 | 10.1021/jm060727j | Proto-oncogene tyrosine-protein kinase LCK | 1 |
| 17154512 | 10.1021/jm060727j | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine