Compound Detail
CHEMBL462481
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Basic Information
| ChEMBL ID | CHEMBL462481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXTDAODSZSXXAY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
147.1
MW (Da)
-2.43
ALogP
4
HBA
4
HBD
104.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL5325 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 790.0 | nM | 6.1 | Inhibition of Helicobacter pylori urease | 18717581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18717581 | 10.1021/jm800570q | Urease | 1 |
Data from ChEMBL 36 via Core Engine