Compound Detail
CHEMBL2059459
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Basic Information
| ChEMBL ID | CHEMBL2059459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKDGRNDYXZENGK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
241.1
MW (Da)
2.80
ALogP
2
HBA
0
HBD
29.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.21 | 5.21 | 6220.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.02 | 5.02 | 9480.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.03 | 4.03 | 92500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6220.0 | nM | 5.21 | Antimalarial activity against chloroquine-sensitive NF54 isolated Plasmodium fal... | 26638044 |
| Trypanosoma cruzi | IC50 | = | 9480.0 | nM | 5.02 | Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes after 72 hrs... | 22795899 |
| MRC5 | IC50 | = | 92500.0 | nM | 4.03 | Cytotoxicity against human MRC5 cells assessed as cell growth inhibition after 4... | 26638044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22795899 | 10.1016/j.bmc.2012.06.027 | Trypanosoma cruzi | 2 |
| 22795899 | 10.1016/j.bmc.2012.06.027 | Vero | 1 |
| 26638044 | 10.1016/j.ejmech.2015.11.020 | Plasmodium falciparum | 1 |
| 26638044 | 10.1016/j.ejmech.2015.11.020 | MRC5 | 1 |
| 26638044 | 10.1016/j.ejmech.2015.11.020 | Unchecked | 1 |
| 36921525 | 10.1016/j.ejmech.2023.115268 | Toxocara canis | 1 |
Data from ChEMBL 36 via Core Engine