Compound Detail
CHEMBL2425469
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Basic Information
| ChEMBL ID | CHEMBL2425469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGSGSSVNDBRBSG-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
215.6
MW (Da)
1.27
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | Ki | 7.85 | 7.85 | 14.0 | 2 |
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 7.08 | 6.8667 | 83.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | Ki | = | 14.0 | nM | 7.85 | Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using... | 23974021 |
| Urease subunit alpha/Urease subunit beta | Ki | = | 14.0 | nM | 7.85 | Inhibition of Helicobacter pylori urease assessed as dissociation constant | 35305460 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 83.0 | nM | 7.08 | Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as a... | 23974021 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 83.0 | nM | 7.08 | Inhibition of Helicobacter pylori urease | 35305460 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 360.0 | nM | 6.44 | Inhibition of urease in Helicobacter pylori ATCC 43504 intact cell assessed as a... | 23974021 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23974021 | 10.1016/j.ejmech.2013.07.047 | Urease subunit alpha/Urease subunit beta | 5 |
| 35305460 | 10.1016/j.ejmech.2022.114273 | Urease subunit alpha/Urease subunit beta | 2 |
Data from ChEMBL 36 via Core Engine