Compound Detail
CHEMBL1591268
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Basic Information
| ChEMBL ID | CHEMBL1591268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYMZWBJVJVDZDT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.9
MW (Da)
5.06
ALogP
4
HBA
2
HBD
60.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 19.0 | nM | 7.72 | Binding affinity to human SST4 receptor | 22606365 |
| Lysosomal acid glucosylceramidase | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of glucocerebrosidase N370S mutant in spleen homogenates of patient w... | 22606365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22606365 | 10.1039/c1md00200g | Lysosomal acid glucosylceramidase | 1 |
| 22606365 | 10.1039/c1md00200g | Somatostatin receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine