Compound Detail
CHEMBL5595663
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COc1ccc(CCOc2cc(C(=O)N[C@@H](C)C(=O)Nc3ccc(C)c(N4Cc5cnc(Nc6ccc(C)nc6)nc5N(C)C4=O)c3)ccc2[N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL5595663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOYSWMFAHLAXEH-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
745.8
MW (Da)
6.10
ALogP
11
HBA
3
HBD
194.1
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
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 LCK (unknown origin) | 38316368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38316368 | 10.1016/j.bmcl.2024.129645 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine