Compound Detail
CHEMBL2029773
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Basic Information
| ChEMBL ID | CHEMBL2029773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKVUEKONYMDGRB-JMOBQWKXSA-N |
| Parent Compound | CHEMBL2079199 |
| Active Moiety | CHEMBL2079199 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
1.52
ALogP
5
HBA
4
HBD
72.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Cytosolic beta-glucosidase CHEMBL3865 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 0.4 | nM | 9.4 | Competitive inhibition of wild type human glucocerebrosidase using 4-methylumbel... | 22360565 |
| Cytosolic beta-glucosidase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human cytosolic beta-glucosidase using 4-methylumbelliferyl beta-D... | 22360565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22360565 | 10.1021/jm201633y | Unchecked | 4 |
| 22360565 | 10.1021/jm201633y | Lysosomal acid glucosylceramidase | 4 |
| 22360565 | 10.1021/jm201633y | Cytosolic beta-glucosidase | 1 |
| 22360565 | 10.1021/jm201633y | Beta-galactosidase | 1 |
| 22360565 | 10.1021/jm201633y | Lysosomal alpha-glucosidase | 1 |
| 22360565 | 10.1021/jm201633y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine