Compound Detail
CHEMBL5407224
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Basic Information
| ChEMBL ID | CHEMBL5407224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZSXOQSYRMGNPE-VXKWHMMOSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
2.30
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.29 | 9.144 | 0.5 | 5 |
| Falcipain 2 CHEMBL5800 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.51 | nM | 9.29 | Antiplasmodial activity against Plasmodium falciparum ItG | 36996716 |
| Plasmodium falciparum | IC50 | = | 0.66 | nM | 9.18 | Antiplasmodial activity against Plasmodium falciparum HB3 | 36996716 |
| Plasmodium falciparum | IC50 | = | 0.78 | nM | 9.11 | Antiplasmodial activity against Plasmodium falciparum Dd2 | 36996716 |
| Plasmodium falciparum | IC50 | = | 0.81 | nM | 9.09 | Antiplasmodial activity against Plasmodium falciparum W2 | 36996716 |
| Plasmodium falciparum | IC50 | = | 0.9 | nM | 9.05 | Antiplasmodial activity against Plasmodium falciparum D6 | 36996716 |
| Falcipain 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Plasmodium falciparum trophozite extracts FP-2 | 36996716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36996716 | 10.1016/j.ejmech.2023.115299 | Plasmodium falciparum | 5 |
| 36996716 | 10.1016/j.ejmech.2023.115299 | Falcipain 2 | 1 |
Data from ChEMBL 36 via Core Engine