Compound Detail
CHEMBL1823942
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Basic Information
| ChEMBL ID | CHEMBL1823942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEDIHMZHLKYWFN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
4.13
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.32 | 2300.0 | 2 |
| Transcriptional activator protein LasR CHEMBL1075207 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG... | 31918952 |
| Transcriptional activator protein LasR | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu... | 31918952 |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of quorum sensing in Pseudomonas aeruginosa assessed as inhibition of... | 20669927 |
| Molecular identity unknown | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of quorum sensing system in Pseudomonas aeruginosa MW1 assessed as in... | 34626877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34626877 | 10.1016/j.ejmech.2021.113864 | Molecular identity unknown | 2 |
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
| 31706639 | 10.1016/j.ejmech.2019.111800 | Pseudomonas aeruginosa | 1 |
| 31918952 | 10.1016/j.bmc.2019.115282 | Transcriptional activator protein LasR | 1 |
| 31918952 | 10.1016/j.bmc.2019.115282 | Unchecked | 1 |
| 26804741 | 10.1021/acs.jmedchem.5b01698 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine