Compound Detail
CHEMBL3216992
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Basic Information
| ChEMBL ID | CHEMBL3216992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNLBUAOHFZRCKU-WMVHNKDRSA-N |
| Parent Compound | CHEMBL2021658 |
| Active Moiety | CHEMBL2021658 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
-3.90
ALogP
6
HBA
6
HBD
133.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 4.35 | 4.31 | 44400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 44400.0 | nM | 4.35 | Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbel... | 24900357 |
| Lysosomal acid glucosylceramidase | IC50 | = | 53400.0 | nM | 4.27 | Inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbel... | 24900357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900357 | 10.1021/ml200098j | Lysosomal acid glucosylceramidase | 5 |
| 24900357 | 10.1021/ml200098j | Unchecked | 3 |
| 24900357 | 10.1021/ml200098j | Ceramide glucosyltransferase | 1 |
| 24900357 | 10.1021/ml200098j | Alpha-galactosidase | 1 |
| 24900357 | 10.1021/ml200098j | ADMET | 1 |
Data from ChEMBL 36 via Core Engine