Compound Detail
CHEMBL5396418
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Basic Information
| ChEMBL ID | CHEMBL5396418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHWYGVPLCBBGPT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.24
ALogP
4
HBA
1
HBD
79.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.33 | 7.57 | 4.7 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 4.69 | nM | 8.33 | Antimalarial activity against late-stage Plasmodium falciparum NF54 V gametocyte... | 36812492 |
| Plasmodium falciparum | EC50 | = | 4.87 | nM | 8.31 | Antimalarial activity against late-stage Plasmodium falciparum NF54 V gametocyte... | 36812492 |
| Unchecked | EC50 | = | 320.0 | nM | 6.5 | Inhibition of trophozoite stage Plasmodium falciparum 3D7 ATP4 ATPase assessed a... | 36812492 |
| Plasmodium falciparum | EC50 | = | 850.0 | nM | 6.07 | Antimalarial activity against asexual blood-stage Plasmodium falciparum 3D7 asse... | 36812492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Plasmodium falciparum | 3 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Unchecked | 2 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine