Compound Detail
CHEMBL4067519
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Basic Information
| ChEMBL ID | CHEMBL4067519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LELAOEBVZLPXAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
163.3
MW (Da)
0.86
ALogP
3
HBA
0
HBD
35.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of quorum sensing LasI synthase in Pseudomonas aeruginosa PAO1 harbor... | 27977197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30626555 | 10.1016/j.bmc.2018.12.026 | Unchecked | 2 |
| 30626555 | 10.1016/j.bmc.2018.12.026 | No relevant target | 2 |
| 27977197 | 10.1021/acs.jmedchem.6b01025 | Unchecked | 1 |
| 27977197 | 10.1021/acs.jmedchem.6b01025 | Pseudomonas aeruginosa | 1 |
| 30626555 | 10.1016/j.bmc.2018.12.026 | Keap1/Nrf2 | 1 |
Data from ChEMBL 36 via Core Engine