Compound Detail
CHEMBL2316805
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Basic Information
| ChEMBL ID | CHEMBL2316805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUOJUOMWQKCULY-JLHYYAGUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
4.66
ALogP
5
HBA
2
HBD
72.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 5.63 | 5.63 | 2350.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 2350.0 | nM | 5.63 | Antiplasmodial activity against Plasmodium berghei liver stage form transfected ... | 23273038 |
| Plasmodium berghei | IC50 | = | 2350.0 | nM | 5.63 | Antiplasmodial activity against liver stage of Plasmodium berghei sporozoites ex... | - |
| Plasmodium falciparum | IC50 | = | 12400.0 | nM | 4.91 | Antiplasmodial activity against erythrocytic stage of Plasmodium falciparum NF54... | 29407988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20113E | Plasmodium berghei | 2 |
| 23273038 | 10.1021/jm301654b | Plasmodium berghei | 1 |
| 23273038 | 10.1021/jm301654b | Plasmodium falciparum | 1 |
| - | 10.1039/C2MD20113E | Plasmodium falciparum | 1 |
| - | 10.1039/C2MD20113E | ADMET | 1 |
| 29407988 | 10.1016/j.ejmech.2018.01.062 | L6 | 1 |
| 29407988 | 10.1016/j.ejmech.2018.01.062 | Plasmodium falciparum | 1 |
| 29407988 | 10.1016/j.ejmech.2018.01.062 | Unchecked | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | L6 | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Mycobacterium tuberculosis | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Mycobacterium avium complex sp. | 1 |
| 29220797 | 10.1016/j.ejmech.2017.11.083 | Mycobacterium avium | 1 |
Data from ChEMBL 36 via Core Engine