Compound Detail
CHEMBL3600399
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Basic Information
| ChEMBL ID | CHEMBL3600399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUWQODSJMQFNNF-UKTHLTGXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
4.84
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.85 | 6.765 | 140.0 | 2 |
| CHO CHEMBL613853 | IC50 | 5.18 | 5.18 | 6590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 140.0 | nM | 6.85 | Antiplasmodial activity chloroquinone-sensitive Plasmodium falciparum D10 by par... | 26235033 |
| Plasmodium falciparum | IC50 | = | 210.0 | nM | 6.68 | Antiplasmodial activity chloroquinone-resistant Plasmodium falciparum Dd2 by par... | 26235033 |
| CHO | IC50 | = | 6590.0 | nM | 5.18 | Cytotoxicity against CHO cells by MTT assay | 26235033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26235033 | 10.1021/acs.jnatprod.5b00114 | Plasmodium falciparum | 2 |
| 26235033 | 10.1021/acs.jnatprod.5b00114 | CHO | 1 |
| 26235033 | 10.1021/acs.jnatprod.5b00114 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine