Compound Detail
CHEMBL3601443
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Basic Information
| ChEMBL ID | CHEMBL3601443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFZSWJVXVPHNB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
5.65
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.29 | 8.265 | 5.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.1 | nM | 8.29 | Antimalarial activity against Plasmodium falciparum W2 assessed as inhibition of... | 25913864 |
| Plasmodium falciparum | IC50 | = | 5.1 | nM | 8.29 | Antimalarial activity against Plasmodium falciparum NF54 | 33508479 |
| Plasmodium falciparum | IC50 | = | 5.7 | nM | 8.24 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | 25913864 |
| Plasmodium falciparum | IC50 | = | 5.7 | nM | 8.24 | Antimalarial activity against Plasmodium falciparum K1 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 4 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium berghei | 3 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine