Compound Detail
CHEMBL200514
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Basic Information
| ChEMBL ID | CHEMBL200514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDRKLRUEEPVRJG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.1
MW (Da)
3.61
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.51
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 4.51 | 4.51 | 30600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of PfENR enzymatic activity | 16198563 |
| Plasmodium falciparum | EC50 | = | 31200.0 | nM | 4.51 | Inhibition of drug-sensitive Plasmodium falciparum 3D7 after 72 hrs | 16198563 |
| Plasmodium falciparum | EC50 | = | 30600.0 | nM | 4.51 | Inhibition of drug-resistant Plasmodium falciparum Dd2 after 72 hrs | 16198563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16198563 | 10.1016/j.bmcl.2005.08.044 | Plasmodium falciparum | 2 |
| 16198563 | 10.1016/j.bmcl.2005.08.044 | Enoyl-acyl-carrier protein reductase | 1 |
Data from ChEMBL 36 via Core Engine