Compound Detail
CHEMBL2347828
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Basic Information
| ChEMBL ID | CHEMBL2347828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLKYBODYUBXWOM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
271.7
MW (Da)
4.39
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase CHEMBL1250368 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase | IC50 | = | 135.0 | nM | 6.87 | Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-... | 23453069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23453069 | 10.1016/j.bmcl.2013.02.019 | Enoyl-acyl carrier reductase | 2 |
| 23453069 | 10.1016/j.bmcl.2013.02.019 | HFF | 1 |
| 23453069 | 10.1016/j.bmcl.2013.02.019 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine