Compound Detail
CHEMBL317364
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Basic Information
| ChEMBL ID | CHEMBL317364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJGAAQMNLKYWSQ-UHFFFAOYSA-N |
6
Targets
26
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
277.8
MW (Da)
3.64
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 23 meas. best 8.3
EC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.3 | 7.6567 | 5.0 | 18 |
| Plasmodium falciparum CHEMBL364 | EC50 | 8.22 | 7.8667 | 6.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.2 | 5.2 | 6349.6 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.99 | 4.99 | 10272.1 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.99 | 4.99 | 10247.1 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.76 | 4.76 | 17281.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18512900 | 10.1021/jm701478a | Plasmodium falciparum | 12 |
| - | 10.6019/CHEMBL3301486 | Unchecked | 8 |
| - | 10.6019/CHEMBL3301472 | Human immunodeficiency virus 1 | 7 |
| - | 10.6019/CHEMBL3301472 | NON-PROTEIN TARGET | 6 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| - | 10.6019/CHEMBL3301550 | Plasmodium falciparum | 4 |
| 12139464 | 10.1021/jm020858u | ADMET | 3 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| 12139464 | 10.1021/jm020858u | Histidine-rich protein PFHRP-II | 2 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 2 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | HT-22 | 2 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 2 |
| 9836608 | 10.1021/jm980146x | Plasmodium falciparum | 2 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 37014977 | 10.1021/acs.jmedchem.2c02015 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine