Compound Detail
CHEMBL468427
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Basic Information
| ChEMBL ID | CHEMBL468427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPPSWPBCUPNFKC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.0
MW (Da)
6.19
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.57 | 6.36 | 267.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 267.28 | nM | 6.57 | Antimalarial activity against chloroquine,mefloquine-sensitive Plasmodium falcip... | 18637666 |
| Plasmodium falciparum | IC50 | = | 517.72 | nM | 6.29 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 18637666 |
| Plasmodium falciparum | IC50 | = | 602.18 | nM | 6.22 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM91C235 | 18637666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18637666 | 10.1021/jm800737y | Plasmodium falciparum | 6 |
Data from ChEMBL 36 via Core Engine