Compound Detail
CHEMBL4100084
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Basic Information
| ChEMBL ID | CHEMBL4100084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACQIPCCEGCZDPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
372.3
MW (Da)
2.35
ALogP
4
HBA
3
HBD
71.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 50.0 | nM | 7.3 | Inhibition of jack bean urease using urea as substrate pretreated for 15 mins fo... | 28526368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28526368 | 10.1016/j.bmcl.2017.05.019 | Urease | 1 |
Data from ChEMBL 36 via Core Engine