Compound Detail
CHEMBL4549418
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Basic Information
| ChEMBL ID | CHEMBL4549418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXLVMRQQYHNGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
1.99
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.04
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.04 | 6.04 | 920.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 920.0 | nM | 6.04 | Activation of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG... | 31918952 |
| Transcriptional activator protein LasR | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu... | 31918952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31918952 | 10.1016/j.bmc.2019.115282 | Transcriptional activator protein LasR | 1 |
| 31918952 | 10.1016/j.bmc.2019.115282 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine