Compound Detail
CHEMBL2041985
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2041985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJNPOYRKVLVZCM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.42
ALogP
4
HBA
1
HBD
73.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.05 | 7.005 | 90.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 4.167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 90.0 | nM | 7.05 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 22390538 |
| Plasmodium falciparum | IC50 | = | 110.0 | nM | 6.96 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... | 22390538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 22390538 | 10.1021/jm3001373 | Liver microsomes | 2 |
| 22390538 | 10.1021/jm3001373 | No relevant target | 2 |
| 22390538 | 10.1021/jm3001373 | Plasmodium falciparum | 2 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 22390538 | 10.1021/jm3001373 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine