Compound Detail
CHEMBL2058836
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Basic Information
| ChEMBL ID | CHEMBL2058836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFJSULWCTIDPRW-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.12
IC50 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.16 | 6.945 | 6.9 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.12 | 7.11 | 76.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6.9 | nM | 8.16 | Antimalarial activity against wild type Plasmodium falciparum Dd2 | 29665687 |
| Plasmodium falciparum | EC50 | = | 76.0 | nM | 7.12 | Antimalarial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gree... | 22524250 |
| Plasmodium falciparum | EC50 | = | 80.0 | nM | 7.1 | Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR gre... | 22524250 |
| Plasmodium falciparum | IC50 | = | 1847.0 | nM | 5.73 | Antimalarial activity against drug-resistant Plasmodium falciparum Dd2 harboring... | 29665687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29665687 | 10.1021/acs.jmedchem.8b00382 | Plasmodium falciparum | 3 |
| 22524250 | 10.1021/jm300041e | Plasmodium falciparum | 2 |
| 23927658 | 10.1021/jm400325j | Plasmodium yoelii | 1 |
| 23927658 | 10.1021/jm400325j | Plasmodium falciparum | 1 |
| 23927658 | 10.1021/jm400325j | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine