Compound Detail
CHEMBL4109459
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Basic Information
| ChEMBL ID | CHEMBL4109459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDQTXCHQKHIQMH-HRJVDPJDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
-0.22
ALogP
6
HBA
3
HBD
74.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein O-GlcNAcase CHEMBL5921 | Ki | 6.79 | 6.79 | 164.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein O-GlcNAcase | Ki | = | 164.0 | nM | 6.79 | null: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO... | - |
| Protein O-GlcNAcase | Ki | = | 164.0 | nM | 6.79 | Inhibition Assay: Enzymatic reactions were carried out in a reaction containing ... | - |
Data from ChEMBL 36 via Core Engine