Compound Detail
CHEMBL1509398
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Basic Information
| ChEMBL ID | CHEMBL1509398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVIJPELUPZUEJX-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
3.67
ALogP
6
HBA
0
HBD
66.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.92
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-protein thioesterase 2 CHEMBL1932891 | Ki | 6.92 | 6.8267 | 120.0 | 3 |
| Acyl-protein thioesterase 2 CHEMBL1932891 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-protein thioesterase 2 | Ki | = | 120.0 | nM | 6.92 | Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Esc... | 28197315 |
| Acyl-protein thioesterase 2 | Ki | = | 120.0 | nM | 6.92 | Binding affinity to human APT2 assessed as inhibition constant | 38621327 |
| Acyl-protein thioesterase 2 | Ki | = | 230.0 | nM | 6.64 | Inhibition of APT2 (unknown origin) by FluPol-ABPP assay | 25558349 |
| Acyl-protein thioesterase 2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tag... | 28197315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28197315 | 10.1021/acsmedchemlett.6b00441 | Acyl-protein thioesterase 2 | 3 |
| 28197315 | 10.1021/acsmedchemlett.6b00441 | Pyridoxal kinase | 2 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| 38621327 | 10.1016/j.ejmech.2024.116408 | Acyl-protein thioesterase 2 | 1 |
| 28197315 | 10.1021/acsmedchemlett.6b00441 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
| 28197315 | 10.1021/acsmedchemlett.6b00441 | Ras-related protein Rab-1A | 1 |
| 28197315 | 10.1021/acsmedchemlett.6b00441 | Acyl-protein thioesterase 1 | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine