Compound Detail
CHEMBL2030316
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Basic Information
| ChEMBL ID | CHEMBL2030316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKTGTRLZGFFKCI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
5.17
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.55 | 6.52 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 280.0 | nM | 6.55 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 inf... | 22364417 |
| Plasmodium falciparum | IC50 | = | 326.0 | nM | 6.49 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364417 | 10.1021/jm201184h | Plasmodium falciparum | 1 |
| - | 10.1039/C5MD00062A | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine