Compound Detail
CHEMBL3087549
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Basic Information
| ChEMBL ID | CHEMBL3087549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVJLLNJDEXZVSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
4.12
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 18400.0 | nM | 4.74 | Inhibition of jack bean urease assessed as ammonia production after 30 mins by i... | 24185379 |
| Radical scavenging activity | IC50 | = | 27000.0 | nM | 4.57 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 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