Compound Detail
CHEMBL4285715
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Basic Information
| ChEMBL ID | CHEMBL4285715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMWQOVNKWQCQDX-DYTRJAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
3.82
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 710.0 | nM | 6.15 | Inhibition of urease (unknown origin) | 35305460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30170940 | 10.1016/j.bmcl.2018.08.025 | Urease | 1 |
| 30170940 | 10.1016/j.bmcl.2018.08.025 | L02 | 1 |
| 30170940 | 10.1016/j.bmcl.2018.08.025 | HEK-293T | 1 |
| 30170940 | 10.1016/j.bmcl.2018.08.025 | Helicobacter pylori | 1 |
| 35305460 | 10.1016/j.ejmech.2022.114273 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine