Compound Detail
CHEMBL3446864
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3446864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZMFECFILUAHKF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
4.93
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.0 | 5.995 | 1011.0 | 2 |
| Wolbachia pipientis CHEMBL4649981 | IC50 | 5.86 | 5.795 | 1393.8 | 2 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.75 | 5.685 | 1758.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1010.95 | nM | 6.0 | Calibr Malaria Delayed Death Assay SOP | - |
| Plasmodium falciparum | IC50 | = | 1027.85 | nM | 5.99 | Calibr Malaria Delayed Death Assay SOP | - |
| Wolbachia pipientis | IC50 | = | 1393.82 | nM | 5.86 | Anti-Wolbachia Cell-Based Screen | - |
| Mycobacterium tuberculosis | IC50 | = | 1757.97 | nM | 5.75 | Cornell M. t heat shock assay | - |
| Wolbachia pipientis | IC50 | = | 1873.21 | nM | 5.73 | Anti-Wolbachia Cell-Based Screen | - |
| Mycobacterium tuberculosis | IC50 | = | 2414.04 | nM | 5.62 | Cornell M. t heat shock assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3507680 | Unchecked | 9 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 4 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 4 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 3 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | Wolbachia pipientis | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium falciparum | 2 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | Plasmodium berghei | 2 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| 32078764 | 10.1021/acsinfecdis.9b00482 | HepG2 | 1 |
| - | 10.6019/CHEMBL3988442 | AMP-activated protein kinase, AMPK | 1 |
| - | 10.6019/CHEMBL3988442 | Lysine--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Polyketide synthase Pks13 | 1 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma brucei | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
| - | 10.6019/CHEMBL3988442 | Methionyl-tRNA synthetase, putative | 1 |
Data from ChEMBL 36 via Core Engine