Compound Detail
CHEMBL3087557
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Basic Information
| ChEMBL ID | CHEMBL3087557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGYLZLXOQHNGFJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.16
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 4.33 | 4.33 | 47200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 47200.0 | nM | 4.33 | Inhibition of jack bean urease assessed as ammonia production after 30 mins by i... | 24185379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24185379 | 10.1016/j.ejmech.2013.10.012 | Candida tropicalis | 1 |
| 24185379 | 10.1016/j.ejmech.2013.10.012 | Saccharomyces cerevisiae | 1 |
| 24185379 | 10.1016/j.ejmech.2013.10.012 | Aspergillus flavus | 1 |
| 24185379 | 10.1016/j.ejmech.2013.10.012 | Aspergillus niger | 1 |
| 24185379 | 10.1016/j.ejmech.2013.10.012 | Radical scavenging activity | 1 |
| 24185379 | 10.1016/j.ejmech.2013.10.012 | Urease | 1 |
Data from ChEMBL 36 via Core Engine