Compound Detail
CHEMBL390553
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Basic Information
| ChEMBL ID | CHEMBL390553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPFPMQHJOFLDAW-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1185122 |
| Active Moiety | CHEMBL1185122 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.6
MW (Da)
5.15
ALogP
3
HBA
0
HBD
32.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 2.4 | nM | 8.62 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 17441706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17441706 | 10.1021/jm070201e | Plasmodium falciparum | 1 |
| 17441706 | 10.1021/jm070201e | Unchecked | 1 |
| 17441706 | 10.1021/jm070201e | Plasmodium berghei | 1 |
| 17441706 | 10.1021/jm070201e | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine