Compound Detail
CHEMBL3099040
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Basic Information
| ChEMBL ID | CHEMBL3099040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVVOCKIRYPSHNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
5.66
ALogP
4
HBA
1
HBD
31.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1583.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 284.52 | nM | Mus musculus |
| F | 50.0 | % | Mus musculus |
| T1/2 | 8.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16.0 | nM | 7.8 | Antimalarial activity against Plasmodium falciparum K1 infected in human RBC aft... | 24900603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900603 | 10.1021/ml400015f | Plasmodium falciparum | 8 |
| 24900603 | 10.1021/ml400015f | Mus musculus | 5 |
| 24900603 | 10.1021/ml400015f | Plasmodium berghei | 4 |
Data from ChEMBL 36 via Core Engine