Compound Detail
CHEMBL1706506
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Basic Information
| ChEMBL ID | CHEMBL1706506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHTBRACCSUODEU-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.0
MW (Da)
5.18
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.5 | 7.692 | 3.2 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.16 | nM | 8.5 | Antiplasmodial activity against Plasmodium falciparum Dd2 harboring CYTb-Qi muta... | 24914738 |
| Plasmodium falciparum | IC50 | = | 7.3 | nM | 8.14 | Antiplasmodial activity against Plasmodium falciparum Dd2 | 24914738 |
| Plasmodium falciparum | IC50 | = | 8.42 | nM | 8.07 | Antiplasmodial activity against Plasmodium falciparum Dd2 harboring HSP90 mutant | 24914738 |
| Plasmodium falciparum | IC50 | = | 16.9 | nM | 7.77 | Antiplasmodial activity against Plasmodium falciparum Dd2 harboring DHODH mutant | 24914738 |
| Plasmodium falciparum | IC50 | = | 1045.0 | nM | 5.98 | Antiplasmodial activity against Plasmodium falciparum Dd2 harboring CRT mutant | 24914738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24914738 | 10.1021/jm500535j | Plasmodium falciparum | 5 |
Data from ChEMBL 36 via Core Engine