Compound Detail
CHEMBL2425480
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Basic Information
| ChEMBL ID | CHEMBL2425480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZJAUAHHHSKTAK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
231.6
MW (Da)
0.97
ALogP
4
HBA
4
HBD
89.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 5.96 | 5.6 | 1100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Helicobacter pylori urease using urea as substrate assessed as amm... | 27492194 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 1280.0 | nM | 5.89 | Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as a... | 23974021 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as a... | 23974021 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27492194 | 10.1016/j.bmc.2016.07.052 | Urease subunit alpha/Urease subunit beta | 5 |
| 23974021 | 10.1016/j.ejmech.2013.07.047 | Urease subunit alpha/Urease subunit beta | 3 |
| 27492194 | 10.1016/j.bmc.2016.07.052 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine