Compound Detail
CHEMBL4760175
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Basic Information
| ChEMBL ID | CHEMBL4760175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFEFLAPGFZKREV-OBGWFSINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
9.02
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 5.05 | 5.05 | 8930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 8930.0 | nM | 5.05 | Inhibition of jack bean urease assessed as reduction in ammonia production using... | 31623971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31623971 | 10.1016/j.bmc.2019.115123 | Urease | 2 |
Data from ChEMBL 36 via Core Engine