Compound Detail
CHEMBL4586403
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Basic Information
| ChEMBL ID | CHEMBL4586403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQFPJAOKBASIPO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
316.7
MW (Da)
0.93
ALogP
5
HBA
3
HBD
124.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase CHEMBL4523953 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Urease CHEMBL4161 | IC50 | 4.3 | 4.3 | 49650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inosine-5'-monophosphate dehydrogenase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of Pseudomonas aeruginosa IMPDH using IMP as substrate in the presenc... | 30769241 |
| Urease | IC50 | = | 49650.0 | nM | 4.3 | Inhibition of jack bean urease by phenol red method | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30769241 | 10.1016/j.ejmech.2019.01.064 | Inosine-5'-monophosphate dehydrogenase | 3 |
| 35694689 | 10.1039/d2md00076h | Staphylococcus aureus | 1 |
| 35694689 | 10.1039/d2md00076h | Bacillus subtilis | 1 |
| 35694689 | 10.1039/d2md00076h | Escherichia coli | 1 |
| 35694689 | 10.1039/d2md00076h | Salmonella typhimurium | 1 |
| 35694689 | 10.1039/d2md00076h | Candida albicans | 1 |
| 35694689 | 10.1039/d2md00076h | Aspergillus niger | 1 |
| 35694689 | 10.1039/d2md00076h | Aspergillus flavus | 1 |
| 35694689 | 10.1039/d2md00076h | Urease | 1 |
Data from ChEMBL 36 via Core Engine