Compound Detail
CHEMBL2385934
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Basic Information
| ChEMBL ID | CHEMBL2385934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHIILLPPZNZCME-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.11
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-N-acetyl-D-hexosaminidase-A/B CHEMBL3038485 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-N-acetyl-D-hexosaminidase-A/B | Ki | = | 1350.0 | nM | 5.87 | Inhibition of human beta-N-acetyl-D-hexosaminidase-A/B using 4-Methylumbellifery... | 24900704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900704 | 10.1021/ml300475m | Beta-N-acetyl-D-hexosaminidase-A/B | 1 |
Data from ChEMBL 36 via Core Engine