Compound Detail
CHEMBL2419642
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Basic Information
| ChEMBL ID | CHEMBL2419642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDWLXKBSDRYJMQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3041343 |
| Active Moiety | CHEMBL3041343 |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.90
ALogP
1
HBA
2
HBD
45.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.0 | 6.4233 | 100.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 100.0 | nM | 7.0 | Gametocytocidal activity against asexual stage of transgenic Plasmodium falcipar... | 23837878 |
| Plasmodium falciparum | IC50 | = | 120.0 | nM | 6.92 | Antimalarial activity against Plasmodium falciparum K1 infected in RBC assessed ... | 23837878 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | Antimalarial activity against Plasmodium falciparum 3D7 infected in RBC assessed... | 23837878 |
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Gametocytocidal activity against synchronous stage 1 to 3 of transgenic Plasmodi... | 23837878 |
| Plasmodium falciparum | IC50 | = | 1000.0 | nM | 6.0 | Antimalarial activity against trophozoite stage of Plasmodium falciparum 3D7 inf... | 23837878 |
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | Gametocytocidal activity against synchronous stage 4 to 5 of transgenic Plasmodi... | 23837878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23837878 | 10.1021/jm400656s | Plasmodium falciparum | 16 |
| 23837878 | 10.1021/jm400656s | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine