Compound Detail
CHEMBL1812086
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Basic Information
| ChEMBL ID | CHEMBL1812086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWULNCUDHRZKFJ-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.39
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7200.0 | nM | 5.14 | Antagonist activity at Escherichia coli DH5alpha (pJN105L + pSC11) LasR assessed... | 21798746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21798746 | 10.1016/j.bmc.2011.06.071 | Unchecked | 3 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Transcriptional activator protein LuxR | 2 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Transcriptional activator protein TraR | 2 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Transcriptional activator protein LasR | 2 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Pseudomonas aeruginosa | 1 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Escherichia coli | 1 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Aliivibrio fischeri | 1 |
| 21798746 | 10.1016/j.bmc.2011.06.071 | Agrobacterium tumefaciens | 1 |
Data from ChEMBL 36 via Core Engine