Compound Detail
CHEMBL5568560
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Basic Information
| ChEMBL ID | CHEMBL5568560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHXPDCZIJAVTAO-SFTDATJTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.7
MW (Da)
4.60
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 CHEMBL1681631 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Acyl-protein thioesterase 2 CHEMBL1932891 | IC50 | 7.43 | 7.43 | 36.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of APT1 (unknown origin) | 38621327 |
| Acyl-protein thioesterase 2 | IC50 | = | 36.74 | nM | 7.43 | Inhibition of APT2 (unknown origin) | 38621327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38621327 | 10.1016/j.ejmech.2024.116408 | Acyl-protein thioesterase 1 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Acyl-protein thioesterase 2 | 1 |
Data from ChEMBL 36 via Core Engine