Compound Detail
CHEMBL258772
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Basic Information
| ChEMBL ID | CHEMBL258772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOKHJANPMHROFU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.2
MW (Da)
6.16
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.64
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.64 | 5.525 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Plasmodium falciparum ENR | 17567585 |
| Plasmodium falciparum | EC50 | = | 2300.0 | nM | 5.64 | Antimalarial activity against Plasmodium falciparum 3D7 by reduced [3H]hypoxanth... | 17567585 |
| Plasmodium falciparum | EC50 | = | 3900.0 | nM | 5.41 | Antimalarial activity against Plasmodium falciparum Dd2 by reduced [3H]hypoxanth... | 17567585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17567585 | 10.1074/jbc.m701813200 | Plasmodium falciparum | 2 |
| 17567585 | 10.1074/jbc.m701813200 | Enoyl-acyl-carrier protein reductase | 1 |
Data from ChEMBL 36 via Core Engine