Compound Detail
CHEMBL4444060
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Basic Information
| ChEMBL ID | CHEMBL4444060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGZUBEDRAVVQFV-NSHDSACASA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Ki 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.12 | 7.12 | 76.3 | 1 |
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 5.48 | 4.965 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 76.3 | nM | 7.12 | Steady state inhibition of Sporosarcina pasteurii CCM 2056 urease using urea as ... | 27524377 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of urease in Helicobacter pylori J99 in Brucella broth using urea as ... | 27524377 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... | 27524377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524377 | 10.1021/acs.jmedchem.6b00986 | Urease subunit alpha/Urease subunit beta | 4 |
| 27524377 | 10.1021/acs.jmedchem.6b00986 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine