Compound Detail
CHEMBL5204682
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Basic Information
| ChEMBL ID | CHEMBL5204682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJLNYOHSLSEDKX-GFCCVEGCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
5.53
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of jack bean urease assessed as reduction on ammonia production using... | 35305460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35305460 | 10.1016/j.ejmech.2022.114273 | Urease | 1 |
Data from ChEMBL 36 via Core Engine