Compound Detail
CHEMBL3211519
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Basic Information
| ChEMBL ID | CHEMBL3211519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXEBNXXQDJLMTC-OQLLNIDSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
1.55
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.38 | 7.38 | 42.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 42.2 | nM | 7.38 | Antimalarial activity against Plasmodium falciparum RKL9 infected in human RBC a... | 33895706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27508879 | 10.1016/j.ejmech.2016.07.039 | Mycobacterium tuberculosis | 3 |
| 27508879 | 10.1016/j.ejmech.2016.07.039 | NON-PROTEIN TARGET | 2 |
| 28302506 | 10.1016/j.bmc.2017.02.044 | Xanthine dehydrogenase/oxidase | 1 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Acetylcholinesterase | 1 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Unchecked | 1 |
| 32278712 | 10.1016/j.bmc.2020.115470 | No relevant target | 1 |
| 33895706 | 10.1016/j.bmc.2021.116159 | Plasmodium falciparum | 1 |
| 35985254 | 10.1016/j.ejmech.2022.114653 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine