Compound Detail
CHEMBL4288940
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Basic Information
| ChEMBL ID | CHEMBL4288940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDWGXWFRQYUDIZ-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
5.92
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.47
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.38 | 8.214 | 4.2 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 23.0 | 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 | IC50 | = | 4.2 | nM | 8.38 | Antimalarial activity against Plasmodium falciparum K1 | 33131885 |
| Plasmodium falciparum | IC50 | = | 5.1 | nM | 8.29 | Antimalarial activity against Plasmodium falciparum 3D7 | 33508479 |
| Plasmodium falciparum | IC50 | = | 5.2 | nM | 8.28 | Antimalarial activity against Plasmodium falciparum NF54 | 33131885 |
| Plasmodium falciparum | IC50 | = | 8.49 | nM | 8.07 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 34267877 |
| Plasmodium falciparum | IC50 | = | 8.96 | nM | 8.05 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 34267877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267877 | 10.1021/acsmedchemlett.1c00031 | No relevant target | 5 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | Plasmodium falciparum | 3 |
| 30108934 | 10.1039/C7MD00637C | Plasmodium berghei | 2 |
| 34267877 | 10.1021/acsmedchemlett.1c00031 | Plasmodium falciparum | 2 |
| 34267877 | 10.1021/acsmedchemlett.1c00031 | ADMET | 2 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | No relevant target | 1 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | Cytochrome P450 | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine