Compound Detail
CHEMBL438657
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O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc2[nH]c(/C=C/c3ccc(Cl)cc3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL438657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWZBLMBEMUXORE-FPYGCLRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
7.80
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17477517 | 10.1021/jm061257w | Enoyl-acyl-carrier protein reductase | 1 |
Data from ChEMBL 36 via Core Engine