Compound Detail
CHEMBL5595530
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Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)[C@H](C)NC(=O)c4ccc([N+](=O)[O-])c(OCC(C)C)c4)ccc2C)C3)cn1
Basic Information
| ChEMBL ID | CHEMBL5595530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVJKTJRTPJJYDM-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
667.7
MW (Da)
5.51
ALogP
10
HBA
3
HBD
184.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.4 | 7.4 | 39.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 39.5 | nM | 7.4 | 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