Compound Detail
CHEMBL3109440
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Basic Information
| ChEMBL ID | CHEMBL3109440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHRSLVWLFNSTLK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
3.52
ALogP
9
HBA
0
HBD
94.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.5 | 4.5 | 31610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5800.0 | nM | 5.24 | Antiplasmodial activity against Plasmodium falciparum FcB1/Columbia infected in ... | 25659770 |
| Leishmania amazonensis | IC50 | = | 31610.0 | nM | 4.5 | Leishmanicidal activity against promastigote stage of Leishmania amazonensis MHO... | 25659770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Plasmodium falciparum | 3 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | L6 | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Trypanosoma brucei gambiense | 2 |
| 24521209 | 10.1021/np400717m | Arginase | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | B16 | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | NON-PROTEIN TARGET | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine