Compound Detail
CHEMBL2011629
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Basic Information
| ChEMBL ID | CHEMBL2011629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IODUPADKAVXSTI-AEJSXWLSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
-0.43
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucosidase CHEMBL3761 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucosidase | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of glucosylceramidase 2 from spleen of patient with gaucher's disease... | 24900342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900342 | 10.1021/ml200050s | Ceramide glucosyltransferase | 2 |
| 24900342 | 10.1021/ml200050s | Unchecked | 1 |
| 24900342 | 10.1021/ml200050s | Beta-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine