Compound Detail
CHEMBL5287592
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O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)[C@H]2C[C@@H](Cl)C2)c1
Basic Information
| ChEMBL ID | CHEMBL5287592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDHSBDWKFQRDCY-WOVMCDHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
5.01
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated protein tau | IC50 | = | 43.0 | nM | 7.37 | Inhibition of tau phosphorylation (unknown origin) | 36669575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36669575 | 10.1016/j.bmcl.2023.129143 | Microtubule-associated protein tau | 1 |
Data from ChEMBL 36 via Core Engine