Compound Detail
CHEMBL4527453
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Basic Information
| ChEMBL ID | CHEMBL4527453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPZPRSQYGSVMTF-NYMZXIIRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
-1.88
ALogP
7
HBA
4
HBD
94.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-hexosaminidase subunit beta CHEMBL5877 | Ki | 7.16 | 7.16 | 70.0 | 1 |
| Protein O-GlcNAcase CHEMBL5921 | Ki | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 70.0 | nM | 7.16 | Inhibition of human OGA assessed as inhibitory constant using 4-methylumbellifer... | 31487175 |
| Beta-hexosaminidase subunit beta | Ki | = | 70.0 | nM | 7.16 | Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-... | 31487175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Protein O-GlcNAcase | 1 |
| 31487175 | 10.1021/acs.jmedchem.9b01090 | Beta-hexosaminidase subunit beta | 1 |
Data from ChEMBL 36 via Core Engine