Compound Detail
CHEMBL476927
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O=C(OC[C@H](NC[C@H]1NC(=O)[C@H](O)[C@@H]1O)c1ccccc1)c1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL476927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPEBKSIPCCGPPX-XMTFNYHQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.3
MW (Da)
1.16
ALogP
6
HBA
4
HBD
107.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal alpha-mannosidase CHEMBL4059 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal alpha-mannosidase | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of alpha-mannosidase in human HCEC | 18599296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18599296 | 10.1016/j.bmc.2008.06.021 | Lysosomal alpha-mannosidase | 3 |
| 18599296 | 10.1016/j.bmc.2008.06.021 | NON-PROTEIN TARGET | 2 |
| 18599296 | 10.1016/j.bmc.2008.06.021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine