Compound Detail
CHEMBL473592
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Basic Information
| ChEMBL ID | CHEMBL473592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZKJWOMSLREKNK-LBPRGKRZSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
0.62
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.3
EC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein TraR CHEMBL5865 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 4.27 | 4.205 | 53600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein TraR | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Agrobacterium tumefaciens TraR | 19945196 |
| Transcriptional activator protein LasR | EC50 | = | 540.0 | nM | 6.27 | Agonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escherichi... | 20669927 |
| Unchecked | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG... | 31918952 |
| Transcriptional activator protein LasR | IC50 | = | 53600.0 | nM | 4.27 | Inhibition of Pseudomonas aeruginosa LasR | 19945196 |
| Transcriptional activator protein LasR | IC50 | = | 73000.0 | nM | 4.14 | Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu... | 31918952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19260689 | 10.1021/jm8015377 | NCI-H630 | 2 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LuxR | 2 |
| 19260689 | 10.1021/jm8015377 | PC-3 | 1 |
| 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 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein TraR | 1 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LasR | 1 |
| 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