Compound Detail
CHEMBL589752
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Basic Information
| ChEMBL ID | CHEMBL589752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUOGESRFPZDMMT-YFKPBYRVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
-0.95
ALogP
3
HBA
5
HBD
125.2
PSA (Ų)
0.21
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 5.16 | 5.16 | 7000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 7000.0 | nM | 5.16 | Binding affinity to Bacillus subtilis 168 1A1 lysine riboswitch 179 lysc by in-l... | 17143270 |
| Unchecked | Kd | = | 7000.0 | nM | 5.16 | Binding affinity to lysC riboswitch in Bacillus subtilis | 25603286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17143270 | 10.1038/nchembio842 | Nucleic Acid | 2 |
| 17143270 | 10.1038/nchembio842 | Bacillus subtilis | 2 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Phospholipase A-2-activating protein | 1 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 20031422 | 10.1016/j.bmc.2009.12.012 | Intestinal-type alkaline phosphatase | 1 |
| 25603286 | 10.1021/jm500868e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine