Compound Detail
CHEMBL336330
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Basic Information
| ChEMBL ID | CHEMBL336330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQYIJVYKDGWWTP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
5.48
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.73
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 4.39 | 4.39 | 40300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 40300.0 | nM | 4.39 | In vitro inhibition of murine Lck kinase. | 14592495 |
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 40300.0 | nM | 4.39 | 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 |
| 17154512 | 10.1021/jm060727j | Proto-oncogene tyrosine-protein kinase LCK | 1 |
Data from ChEMBL 36 via Core Engine