Compound Detail
CHEMBL1903566
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Basic Information
| ChEMBL ID | CHEMBL1903566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPTMHNPBMQCQPG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.29
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 CHEMBL1681631 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
| Acyl-protein thioesterase 2 CHEMBL1932891 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-protein thioesterase 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human APT1 | 25558349 |
| Acyl-protein thioesterase 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of APT1 (unknown origin) by fluorescence polarization assay | 38621327 |
| Acyl-protein thioesterase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human APT2 | 25558349 |
| Acyl-protein thioesterase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of APT2 (unknown origin) by fluorescence polarization assay | 38621327 |
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 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Acyl-protein thioesterase 1 | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Acyl-protein thioesterase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine