Compound Detail
CHEMBL5403669
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Basic Information
| ChEMBL ID | CHEMBL5403669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSHDBBLSXAAVQZ-SFHVURJKSA-N |
1
Targets
5
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
405.2
MW (Da)
2.94
ALogP
4
HBA
1
HBD
82.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.1 | 7.704 | 8.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 8.0 | nM | 8.1 | Antimalarial activity against asexual blood-stage Plasmodium falciparum 3D7 asse... | 36812492 |
| Plasmodium falciparum | EC50 | = | 16.6 | nM | 7.78 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as reduction in... | 36812492 |
| Plasmodium falciparum | EC50 | = | 24.0 | nM | 7.62 | Antimalarial activity against N-(3-Fluoropheny1)-8-methoxy-4-methy1-1,5-dioxo-2,... | 36812492 |
| Plasmodium falciparum | EC50 | = | 24.0 | nM | 7.62 | Antimalarial activity against N-(3-Fluoropheny1)-8-methoxy-4-methy1-1,5-dioxo-2,... | 36812492 |
| Plasmodium falciparum | EC50 | = | 39.6 | nM | 7.4 | Antimalarial activity against N-(3-Fluoropheny1)-8-methoxy-4-methy1-1,5-dioxo-2,... | 36812492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Plasmodium falciparum | 8 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Unchecked | 5 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | No relevant target | 2 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | ADMET | 2 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Plasmodium berghei | 2 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | HepG2 | 1 |
| 36812492 | 10.1021/acs.jmedchem.2c02092 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine