Compound Detail
CHEMBL4282488
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Basic Information
| ChEMBL ID | CHEMBL4282488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDGQVCRQXSYPCW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
5.55
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.7 | 7.525 | 20.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 6.62 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.0 | nM | 7.7 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCR-... | 30344903 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Plasmodium falciparum FCR-3 HDP expressed in Escherichia coli asse... | 30344903 |
| Plasmodium falciparum | IC50 | = | 45.0 | nM | 7.35 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | 30344903 |
| Unchecked | IC50 | = | 2870.0 | nM | 5.54 | Cytotoxicity against human A375P cells incubated for 72 hrs by MTT assay | 34298133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34298133 | 10.1016/j.bmcl.2021.128272 | Unchecked | 9 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Unchecked | 4 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Plasmodium berghei | 4 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Plasmodium falciparum | 3 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine