Compound Detail
CHEMBL4065621
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Basic Information
| ChEMBL ID | CHEMBL4065621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNFYEFDDDPJGPO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
4.05
ALogP
5
HBA
2
HBD
65.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.16 | 5.99 | 700.0 | 3 |
| CHO CHEMBL613853 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 700.0 | nM | 6.16 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| Plasmodium falciparum | IC50 | = | 1070.0 | nM | 5.97 | Anti-plasmodial activity against multidrug resistant Plasmodium falciparum K1 by... | 28094524 |
| Plasmodium falciparum | IC50 | = | 1440.0 | nM | 5.84 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| CHO | IC50 | = | 18300.0 | nM | 4.74 | Cytotoxicity against CHO cells after by MTT assay | 28094524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Plasmodium falciparum | 3 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | CHO | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Unchecked | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine