Compound Detail
CHEMBL403756
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Basic Information
| ChEMBL ID | CHEMBL403756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRHXTSWSUAJOJZ-JAJWTYFOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
-1.04
ALogP
6
HBA
3
HBD
82.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.04 | 4.04 | 90800.0 | 1 |
| B-N-acetylhexosaminidase CHEMBL1075027 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 90800.0 | nM | 4.04 | Inhibition of Streptomyces plicatus beta-N-acetylhexosaminidase GH20 using p-nit... | 25442323 |
| B-N-acetylhexosaminidase | Ki | = | 100000.0 | nM | 4.0 | Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase | 18406613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25442323 | 10.1016/j.bmcl.2014.09.066 | Unchecked | 3 |
| 18406613 | 10.1016/j.bmcl.2008.03.067 | B-N-acetylhexosaminidase | 1 |
| 18406613 | 10.1016/j.bmcl.2008.03.067 | Beta-hexosaminidase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine