Compound Detail
CHEMBL3360788
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Basic Information
| ChEMBL ID | CHEMBL3360788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOCYJEJDXMUBDL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
4.78
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.5 | 8.27 | 3.2 | 2 |
| J774 CHEMBL614123 | EC50 | 5.43 | 5.43 | 3740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 3.17 | nM | 8.5 | Antimalarial activity against multi-drug-resistant Plasmodium falciparum TM90-C2... | 25148516 |
| Plasmodium falciparum | EC50 | = | 9.15 | nM | 8.04 | Antimalarial activity against multi-drug-resistant Plasmodium falciparum W2 infe... | 25148516 |
| J774 | EC50 | = | 3740.0 | nM | 5.43 | Cytotoxicity against mouse J774 cells after 72 hrs by CellTiter 96 assay | 25148516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25148516 | 10.1021/jm500942v | Plasmodium falciparum | 2 |
| 25148516 | 10.1021/jm500942v | Unchecked | 1 |
| 25148516 | 10.1021/jm500942v | J774 | 1 |
| 25148516 | 10.1021/jm500942v | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine