Compound Detail
CHEMBL2425478
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Basic Information
| ChEMBL ID | CHEMBL2425478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOXDYWSFBSJBQQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
250.1
MW (Da)
1.92
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Ki 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 6.64 | 6.34 | 230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | Ki | = | 45.0 | nM | 7.35 | Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using... | 23974021 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 230.0 | nM | 6.64 | Inhibition of urease extracted from Helicobacter pylori ATCC 43504 assessed as a... | 23974021 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 910.0 | nM | 6.04 | 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 | 4 |
Data from ChEMBL 36 via Core Engine