Compound Detail
CHEMBL3286864
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Basic Information
| ChEMBL ID | CHEMBL3286864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDZCFKFYFOTOPG-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
2.36
ALogP
6
HBA
1
HBD
99.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.32 | 7.32 | 48.1 | 4 |
| Unchecked CHEMBL612545 | IC50 | 7.23 | 7.23 | 58.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 48.2 | nM | 7.32 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 24824551 |
| Plasmodium falciparum | IC50 | = | 48.1 | nM | 7.32 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 a... | 24824551 |
| Plasmodium falciparum | IC50 | = | 48.2 | nM | 7.32 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 25913864 |
| Plasmodium falciparum | IC50 | = | 48.1 | nM | 7.32 | Antimalarial activity against Plasmodium falciparum W2 assessed as inhibition of... | 25913864 |
| Unchecked | IC50 | = | 58.4 | nM | 7.23 | Inhibition of Plasmodium falciparum recombinant falcipain-2 after 30 mins by spe... | 24824551 |
| Unchecked | IC50 | = | 58.4 | nM | 7.23 | Inhibition of Plasmodium falciparum FP2 | 25913864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24824551 | 10.1021/jm5004528 | Unchecked | 4 |
| 24824551 | 10.1021/jm5004528 | Plasmodium falciparum | 3 |
| 24824551 | 10.1021/jm5004528 | Plasmodium berghei | 2 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 2 |
| 24824551 | 10.1021/jm5004528 | HEK-293T | 1 |
| 24824551 | 10.1021/jm5004528 | ADMET | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine