Compound Detail
CHEMBL422502
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Basic Information
| ChEMBL ID | CHEMBL422502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDQGTMDWRHVJEK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.1
MW (Da)
4.33
ALogP
5
HBA
2
HBD
43.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.01 | 8.01 | 9.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9.7 | nM | 8.01 | In vitro antimalarial activity against Plasmodium falciparum FcB1 | 12570376 |
| Plasmodium falciparum | IC50 | = | 9.7 | nM | 8.01 | Antimalarial activity against Plasmodium falciparum FcB1/Columbia erythrocytes i... | 19361896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570376 | 10.1021/jm020960r | Plasmodium falciparum | 1 |
| 12570376 | 10.1021/jm020960r | MRC5 | 1 |
| 19361896 | 10.1016/j.ejmech.2009.02.024 | Plasmodium falciparum | 1 |
| 19361896 | 10.1016/j.ejmech.2009.02.024 | MRC5 | 1 |
| 19361896 | 10.1016/j.ejmech.2009.02.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine