Compound Detail
CHEMBL2071265
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Basic Information
| ChEMBL ID | CHEMBL2071265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXZNQCJTFIJYTL-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
284.8
MW (Da)
4.12
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.52 | 6.1825 | 300.0 | 4 |
| L6 CHEMBL614793 | IC50 | 4.67 | 4.67 | 21120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Antiplasmodial activity against erythrocytic stage of multidrug-resistant Plasmo... | 24900723 |
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Antiplasmodial activity against erythrocytic stage of chloroquine-resistant Plas... | 24900723 |
| Plasmodium falciparum | IC50 | = | 1420.0 | nM | 5.85 | Antiplasmodial activity against Plasmodium falciparum 3D7 ring stage cells asses... | 22858300 |
| Plasmodium falciparum | IC50 | = | 1460.0 | nM | 5.84 | Antiplasmodial activity against drug resistant Plasmodium falciparum Dd2 ring st... | 22858300 |
| L6 | IC50 | = | 21120.0 | nM | 4.67 | Cytotoxicity against rat L6 cells after 70 hrs by Alamar Blue assay | 24900723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858300 | 10.1016/j.bmc.2012.06.038 | Unchecked | 3 |
| 22858300 | 10.1016/j.bmc.2012.06.038 | Plasmodium falciparum | 2 |
| 24900723 | 10.1021/ml400164t | Plasmodium falciparum | 2 |
| 22858300 | 10.1016/j.bmc.2012.06.038 | Human immunodeficiency virus 1 | 1 |
| 22858300 | 10.1016/j.bmc.2012.06.038 | HeLa | 1 |
| 24900723 | 10.1021/ml400164t | Unchecked | 1 |
| 24900723 | 10.1021/ml400164t | L6 | 1 |
Data from ChEMBL 36 via Core Engine