Compound Detail
CHEMBL253537
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Basic Information
| ChEMBL ID | CHEMBL253537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMITUHOKAXYTFS-REIUNREZSA-N |
| Parent Compound | CHEMBL1182604 |
| Active Moiety | CHEMBL1182604 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-2.62
ALogP
5
HBA
5
HBD
101.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-N-acetylhexosaminidase CHEMBL1075027 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-N-acetylhexosaminidase | Ki | = | 21000.0 | nM | 4.68 | Inhibition of Streptomyces plicatus N-acetyl-hexosaminidase | 18406613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18406613 | 10.1016/j.bmcl.2008.03.067 | B-N-acetylhexosaminidase | 1 |
Data from ChEMBL 36 via Core Engine