Compound Detail
CHEMBL5272942
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Basic Information
| ChEMBL ID | CHEMBL5272942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVKNMHBLVJKNHB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
3.19
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.54 | 7.3733 | 29.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 29.0 | nM | 7.54 | Antiplasmodial activity against Plasmodium falciparum Dd2 infected in human Eryt... | 29360043 |
| Plasmodium falciparum | IC50 | = | 29.0 | nM | 7.54 | Antiplasmodial activity against Plasmodium falciparum D6 infected in human Eryth... | 29360043 |
| Plasmodium falciparum | IC50 | = | 92.0 | nM | 7.04 | Antiplasmodial activity against Plasmodium falciparum Tm90-C2B infected in human... | 29360043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29360043 | 10.1016/j.ejmech.2018.01.039 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine