Compound Detail
CHEMBL224312
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Basic Information
| ChEMBL ID | CHEMBL224312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWLAWRRWOKPHSQ-RPPGKUMJSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
2.79
ALogP
7
HBA
4
HBD
110.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.43 | 5.43 | 3750.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 2250.0 | nM | 5.65 | Inhibition of Plasmodium falciparum recombinant falcipain-2 | 17052908 |
| Unchecked | IC50 | = | 2250.0 | nM | 5.65 | Inhibition of Plasmodium falciparum falcipain-2 | 19361896 |
| Plasmodium falciparum | IC50 | = | 3750.0 | nM | 5.43 | Antiparasitic activity against Plasmodium falciparum W2 | 17052908 |
| Plasmodium falciparum | IC50 | = | 3750.0 | nM | 5.43 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 19361896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17052908 | 10.1016/j.bmc.2006.09.055 | Falcipain 2 | 1 |
| 17052908 | 10.1016/j.bmc.2006.09.055 | Plasmodium falciparum | 1 |
| 19361896 | 10.1016/j.ejmech.2009.02.024 | Plasmodium falciparum | 1 |
| 19361896 | 10.1016/j.ejmech.2009.02.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine