Compound Detail
CHEMBL2062938
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O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL2062938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHKSVLUVUFKWKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
622.1
MW (Da)
6.93
ALogP
9
HBA
2
HBD
96.7
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | Ki | = | 79.43 | nM | 7.1 | Inhibition of LCK | 24900482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900482 | 10.1021/ml300012r | Tyrosine-protein kinase Lck | 1 |
| 24900482 | 10.1021/ml300012r | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine