Compound Detail
CHEMBL290932
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Basic Information
| ChEMBL ID | CHEMBL290932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQHZABGPIPECSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
1.07
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Accessory gene regulator protein A CHEMBL1681616 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of Staphylococcus aureus USA300 LAC quorum sensing system Agr assesse... | 30730742 |
| Accessory gene regulator protein A | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus ... | 24911880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24911880 | 10.1021/np5000704 | Accessory gene regulator protein A | 2 |
| 1578486 | 10.1021/jm00087a014 | Chymotrypsin-like elastase family member 2A | 1 |
| 1578486 | 10.1021/jm00087a014 | Neutrophil elastase | 1 |
| 1578486 | 10.1021/jm00087a014 | Chymotrypsinogen A | 1 |
| 1578486 | 10.1021/jm00087a014 | Cathepsin G | 1 |
| 30730742 | 10.1021/acs.jnatprod.8b00925 | Unchecked | 1 |
| 36781148 | 10.1016/j.bmcl.2023.129186 | INS1 | 1 |
Data from ChEMBL 36 via Core Engine