Compound Detail
CHEMBL3349997
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CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)cccc12
Basic Information
| ChEMBL ID | CHEMBL3349997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPGCXGNVVKXISM-XUFREYRYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
-0.08
ALogP
8
HBA
6
HBD
151.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2179 | Ki | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | Ki | = | 2.1 | nM | 8.68 | Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluores... | 11392550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11392550 | 10.1016/s0960-894x(01)00209-8 | Lysosomal acid glucosylceramidase | 1 |
Data from ChEMBL 36 via Core Engine