Compound Detail
CHEMBL3133033
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Basic Information
| ChEMBL ID | CHEMBL3133033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JANZPYBUCSVYKY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.02
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-protein thioesterase 2 CHEMBL1932891 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-protein thioesterase 2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human APT2 | 25558349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25558349 | 10.1039/c3md00333g | sn-1-specific diacylglycerol lipase ABHD11 | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 2 | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine