Compound Detail
CHEMBL4462112
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Basic Information
| ChEMBL ID | CHEMBL4462112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPCHTOQCODVINP-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
-0.41
ALogP
6
HBA
1
HBD
96.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Transcriptional activator protein LasR CHEMBL1075207 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 17.0 | nM | 7.77 | Activation of LasR in Escherichia coli JLD271 harboring pSC11/pJN105L using CPRG... | 31918952 |
| Transcriptional activator protein LasR | EC50 | = | 2600.0 | nM | 5.58 | Activation of LasR in Pseudomonas aeruginosa PAO-JP2 harboring plasI-LVAgfp incu... | 31918952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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