Compound Detail
CHEMBL503197
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Basic Information
| ChEMBL ID | CHEMBL503197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWRNQKNQAZICDP-JTQLQIEISA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
1.40
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.34
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Transcriptional activator protein TraR CHEMBL5865 | IC50 | 6.34 | 6.34 | 460.0 | 2 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 5.33 | 5.33 | 4670.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at Escherichia coli DH5alpha LasR receptor by beta-galctosidase... | 18760602 |
| Transcriptional activator protein TraR | IC50 | = | 460.0 | nM | 6.34 | Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as... | 18760602 |
| Transcriptional activator protein TraR | IC50 | = | 460.0 | nM | 6.34 | Antagonist activity at Agrobacterium tumefaciens TraR receptor in presence of 10... | 20669927 |
| Unchecked | IC50 | = | 4670.0 | nM | 5.33 | Antagonist activity at Escherichia coli DH5alpha LasR receptor assessed as inhib... | 18760602 |
| Transcriptional activator protein LasR | IC50 | = | 4670.0 | nM | 5.33 | Antagonist activity at Pseudomonas aeruginosa LasR receptor expressed in Escheri... | 20669927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18760602 | 10.1016/j.bmcl.2008.07.089 | Unchecked | 3 |
| 18760602 | 10.1016/j.bmcl.2008.07.089 | Transcriptional activator protein TraR | 2 |
| 18760602 | 10.1016/j.bmcl.2008.07.089 | Transcriptional activator protein LuxR | 2 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LuxR | 1 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein TraR | 1 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LasR | 1 |
Data from ChEMBL 36 via Core Engine