Compound Detail
CHEMBL2407595
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Basic Information
| ChEMBL ID | CHEMBL2407595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUBXAHGZFNPQGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.80
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methioni... | 28089350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24376907 | 10.1021/ml400034m | Burkholderia thailandensis | 1 |
| 24376907 | 10.1021/ml400034m | Unchecked | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Unchecked | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | NON-PROTEIN TARGET | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Rattus norvegicus | 1 |
| 29551481 | 10.1016/j.bmcl.2018.03.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine