Compound Detail
CHEMBL5281994
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O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@@H](F)C2)c1
Basic Information
| ChEMBL ID | CHEMBL5281994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWBQXWADRRVTID-WOVMCDHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.74
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6.9 | nM | 8.16 | Inhibition of GSK-3beta (unknown origin) incubated for 1 hr by HTRF assay | 36669575 |
| Microtubule-associated protein tau | IC50 | = | 150.0 | nM | 6.82 | Inhibition of tau phosphorylation (unknown origin) | 36669575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36669575 | 10.1016/j.bmcl.2023.129143 | Glycogen synthase kinase-3 beta | 1 |
| 36669575 | 10.1016/j.bmcl.2023.129143 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine