Compound Detail
CHEMBL95373
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Basic Information
| ChEMBL ID | CHEMBL95373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNQLXXHCCUAUIQ-GZTJUZNOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
4.56
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 4.78 | 4.78 | 16760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 16760.0 | nM | 4.78 | Inhibition Assay: Reaction mixtures consisting of 25 μL (1 unit/well) of Jack be... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15139765 | 10.1021/jm031086k | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine