Compound Detail
CHEMBL2036000
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Basic Information
| ChEMBL ID | CHEMBL2036000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSRSCSPMCOIXPO-OALUTQOASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.6
MW (Da)
4.80
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.6 | 6.38 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 250.0 | nM | 6.6 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 inf... | 24900369 |
| Plasmodium falciparum | IC50 | = | 700.0 | nM | 6.16 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 inf... | 24900369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900369 | 10.1021/ml2002136 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine