Compound Detail
CHEMBL2418052
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Basic Information
| ChEMBL ID | CHEMBL2418052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGQIFWZILXOYRJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040256 |
| Active Moiety | CHEMBL3040256 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.91
ALogP
3
HBA
4
HBD
81.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.58 | 4.58 | 26600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.0 | nM | 7.7 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 23871911 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1350.0 | nM | 5.87 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 23871911 |
| Leishmania donovani | IC50 | = | 26600.0 | nM | 4.58 | Antileishmanial activity against amastigotes of Leishmania donovani MHOM/SD/62/I... | 23871911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Unchecked | 3 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | L6 | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Leishmania donovani | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Trypanosoma brucei rhodesiense | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine