Compound Detail
CHEMBL8609
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Basic Information
| ChEMBL ID | CHEMBL8609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGTXFFYJJNWEPV-KZUDCZAMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.31
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.27
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 7.27 | 7.27 | 54.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator protein LasR | EC50 | = | 54.0 | nM | 7.27 | Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Es... | 20669927 |
| Mus musculus | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of murine splenocyte proliferation | 12502363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502363 | 10.1021/jm020909n | Mus musculus | 1 |
| 20669927 | 10.1021/jm901742e | Transcriptional activator protein LasR | 1 |
| 24592914 | 10.1021/jm500215s | Unchecked | 1 |
| 24592914 | 10.1021/jm500215s | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine