Compound Detail
CHEMBL193474
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Basic Information
| ChEMBL ID | CHEMBL193474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLRJOBJZEOGDLA-BJMVGYQFSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
224.2
MW (Da)
1.17
ALogP
4
HBA
2
HBD
93.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.99
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Urease CHEMBL4161 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | Ki | = | 90.0 | nM | 7.05 | Inhibition of jack bean urease assessed as ammonia production after 30 mins by i... | 21981981 |
| Urease | IC50 | = | 102.0 | nM | 6.99 | Inhibition of jack bean urease assessed as ammonia production after 30 mins by i... | 21981981 |
| Toxoplasma gondii | IC50 | = | 100000.0 | nM | 4.0 | Compound tested on intracellular parasites Toxoplasma gondii in vero cells after... | 15863319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21981981 | 10.1016/j.ejmech.2011.09.009 | Urease | 3 |
| 15863319 | 10.1016/j.bmcl.2005.03.048 | Vero | 2 |
| 15863319 | 10.1016/j.bmcl.2005.03.048 | Toxoplasma gondii | 2 |
Data from ChEMBL 36 via Core Engine