Compound Detail
CHEMBL2392448
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Basic Information
| ChEMBL ID | CHEMBL2392448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKGPTRKBPOKEDN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.8
MW (Da)
3.90
ALogP
6
HBA
2
HBD
99.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase CHEMBL1250368 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase | IC50 | = | 34.0 | nM | 7.47 | Inhibition of Toxoplasma gondii enoyl acyl-carrier protein reductase | 23664871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23664871 | 10.1016/j.bmcl.2013.04.035 | Plasmodium falciparum | 2 |
| 23664871 | 10.1016/j.bmcl.2013.04.035 | Enoyl-acyl carrier reductase | 2 |
| 23664871 | 10.1016/j.bmcl.2013.04.035 | HFF | 1 |
| 23664871 | 10.1016/j.bmcl.2013.04.035 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine