Compound Detail
CHEMBL4214414
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Basic Information
| ChEMBL ID | CHEMBL4214414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULCQBQQZAQOXJM-MJBXVCDLSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
-0.35
ALogP
7
HBA
3
HBD
92.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Ki 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-... | 32146376 |
| Lysosomal acid glucosylceramidase | Ki | = | 55000.0 | nM | 4.26 | Competitive inhibition of human recombinant lysosomal GCase using 4-methylumbell... | 32146376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32146376 | 10.1016/j.ejmech.2020.112173 | Lysosomal acid glucosylceramidase | 2 |
| 28692917 | 10.1016/j.ejmech.2017.06.055 | Unchecked | 1 |
| 32146376 | 10.1016/j.ejmech.2020.112173 | Alpha-galactosidase A | 1 |
Data from ChEMBL 36 via Core Engine