Compound Detail
CHEMBL261523
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Basic Information
| ChEMBL ID | CHEMBL261523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVXTWQKKYLJELN-OXCLUMMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
705.7
MW (Da)
-7.57
ALogP
21
HBA
12
HBD
319.7
PSA (Ų)
0.10
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endo-beta-N-acetylglucosaminidase CHEMBL1075042 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endo-beta-N-acetylglucosaminidase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Arthrobacter protophormiae endo-beta-N-acetylglucosaminidase after... | 18304822 |
| Unchecked | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of Mucor hiemalis endo-beta-N-acetylglucosaminidase after 5 mins by H... | 18304822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304822 | 10.1016/j.bmc.2008.02.032 | Unchecked | 2 |
| 18304822 | 10.1016/j.bmc.2008.02.032 | Endo-beta-N-acetylglucosaminidase | 1 |
Data from ChEMBL 36 via Core Engine