Compound Detail
CHEMBL573745
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Basic Information
| ChEMBL ID | CHEMBL573745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPYCQGIBKUZQGH-GKAPJAKFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.77
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein TraR CHEMBL5865 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 4.48 | 4.48 | 33100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein TraR | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Agrobacterium tumefaciens TraR | 19945196 |
| Transcriptional activator protein LasR | IC50 | = | 33100.0 | nM | 4.48 | Inhibition of Pseudomonas aeruginosa LasR | 19945196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945196 | 10.1016/j.ejmech.2009.11.004 | Transcriptional activator protein TraR | 1 |
| 19945196 | 10.1016/j.ejmech.2009.11.004 | Transcriptional activator protein LasR | 1 |
Data from ChEMBL 36 via Core Engine