Compound Detail
CHEMBL4278926
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Basic Information
| ChEMBL ID | CHEMBL4278926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJKRVTGHUKNLFU-KGFUMZNHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
-0.01
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.84 | 14570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of recombinant human GBA pre-incubated for 30 mins followed by 4-meth... | 30108721 |
| Unchecked | IC50 | = | 14570.0 | nM | 4.84 | Inhibition of almond beta-glucosidase pre-incubated for 5 mins followed by p-nit... | 30108721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108721 | 10.1039/C7MD00480J | Lysosomal acid glucosylceramidase | 4 |
| 30108721 | 10.1039/C7MD00480J | Unchecked | 3 |
| 30108721 | 10.1039/C7MD00480J | Alpha-galactosidase | 1 |
| 30108721 | 10.1039/C7MD00480J | Beta-galactosidase | 1 |
| 30108721 | 10.1039/C7MD00480J | Galactocerebrosidase | 1 |
| 30108721 | 10.1039/C7MD00480J | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine