Compound Detail
CHEMBL5429894
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Basic Information
| ChEMBL ID | CHEMBL5429894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTEJFEMBENTELL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
4.04
ALogP
3
HBA
1
HBD
69.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 10.0 | nM | 8.0 | Antimalarial activity against asexual blood-stage Plasmodium falciparum 3D7 asse... | 36812492 |
| Plasmodium falciparum | EC50 | = | 10.0 | nM | 8.0 | Antiplasmodial activity against asexual Plasmodium falciparum 3D7 incubated for ... | 39134060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Plasmodium falciparum | 1 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | HepG2 | 1 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | Plasmodium falciparum | 1 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | HepG2 | 1 |
| 39134060 | 10.1021/acs.jmedchem.4c01241 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine