Compound Detail
CHEMBL261769
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Basic Information
| ChEMBL ID | CHEMBL261769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOAXVUFASJOCRA-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.62
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.57 | 7.5 | 27.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.14 | 4.14 | 72443.6 | 1 |
| HeLa CHEMBL399 | IC50 | 4.12 | 4.12 | 75857.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 26.96 | nM | 7.57 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM91C235 | 18330976 |
| Plasmodium falciparum | IC50 | = | 29.2 | nM | 7.54 | Antimalarial activity against Plasmodium falciparum D6 | 18330976 |
| Plasmodium falciparum | IC50 | = | 40.41 | nM | 7.39 | Antimalarial activity against Plasmodium falciparum W2 | 18330976 |
| NON-PROTEIN TARGET | IC50 | = | 72443.6 | nM | 4.14 | Cytotoxicity against human Fem-X cells | 20705369 |
| HeLa | IC50 | = | 75857.76 | nM | 4.12 | Cytotoxicity against human HeLa cells | 20705369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18330976 | 10.1021/jm701417a | Plasmodium falciparum | 6 |
| 20705369 | 10.1016/j.ejmech.2010.07.019 | NON-PROTEIN TARGET | 1 |
| 20705369 | 10.1016/j.ejmech.2010.07.019 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine