Compound Detail
CHEMBL1591395
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Basic Information
| ChEMBL ID | CHEMBL1591395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYJDVCXUKWYKPE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.9
MW (Da)
5.32
ALogP
3
HBA
3
HBD
56.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 160.0 | nM | 6.8 | Binding affinity to human SST4 receptor | 22606365 |
| Lysosomal acid glucosylceramidase | IC50 | = | 1300.0 | nM | 5.89 | 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 | 2 |
| 22606365 | 10.1039/c1md00200g | Somatostatin receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine