Compound Detail
CHEMBL4073930
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Basic Information
| ChEMBL ID | CHEMBL4073930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYZBLRXVQVPGGS-BHGWPJFGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
4.44
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 1490.0 | nM | 5.83 | 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