Compound Detail
CHEMBL2058040
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Basic Information
| ChEMBL ID | CHEMBL2058040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBTVWMJBFJFGLP-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.9
MW (Da)
4.53
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.68 | 7.36 | 21.0 | 4 |
| L6 CHEMBL614793 | IC50 | 4.73 | 4.73 | 18593.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 21.0 | nM | 7.68 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum W2 i... | 22749280 |
| Plasmodium falciparum | IC50 | = | 21.0 | nM | 7.68 | Antiplasmodial activity against Plasmodium falciparum W2 infected in human eryth... | 26264839 |
| Plasmodium falciparum | IC50 | = | 92.0 | nM | 7.04 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 a... | 22749280 |
| Plasmodium falciparum | IC50 | = | 92.0 | nM | 7.04 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 inf... | 26264839 |
| L6 | IC50 | = | 18593.0 | nM | 4.73 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 22749280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22749280 | 10.1016/j.bmcl.2012.06.010 | Plasmodium falciparum | 3 |
| 26264839 | 10.1016/j.bmc.2015.07.051 | Plasmodium falciparum | 3 |
| 22749280 | 10.1016/j.bmcl.2012.06.010 | L6 | 1 |
| 22749280 | 10.1016/j.bmcl.2012.06.010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine