Compound Detail
CHEMBL369361
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CNC1C=C(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL369361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTNOHGIGZSPUKL-JIGJGHPYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
695.1
MW (Da)
7.54
ALogP
7
HBA
7
HBD
142.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
33
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase CHEMBL2278 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal acid glucosylceramidase | IC50 | = | 300.0 | nM | 6.52 | Compound was tested for inhibitory activity against beta-glucocerebrosidase. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00146-1 | Lysosomal acid glucosylceramidase | 1 |
| - | 10.1016/0960-894X(96)00146-1 | Unchecked | 1 |
| - | 10.1016/0960-894X(96)00146-1 | Maltase-glucoamylase | 1 |
Data from ChEMBL 36 via Core Engine