Compound Detail
CHEMBL4527540
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4527540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZUMIWRJDZWNPN-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.28
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein LuxR CHEMBL5351 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein LuxR | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Aliivibrio fischeri LuxR by luminescence method | 31918952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31918952 | 10.1016/j.bmc.2019.115282 | Transcriptional activator protein LuxR | 1 |
Data from ChEMBL 36 via Core Engine