Compound Detail
CHEMBL1408131
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Basic Information
| ChEMBL ID | CHEMBL1408131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWQLGLUTQIKSAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.2
MW (Da)
2.55
ALogP
4
HBA
1
HBD
93.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 77000.0 | nM | 4.11 | Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methioni... | 28089350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28089350 | 10.1016/j.bmc.2016.11.013 | Unchecked | 1 |
| 29940465 | 10.1016/j.ejmech.2018.06.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine