Compound Detail
CHEMBL2042003
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Basic Information
| ChEMBL ID | CHEMBL2042003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROULPWBIPBUFHM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.50
ALogP
5
HBA
2
HBD
116.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 5.833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... | 22390538 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 22390538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22390538 | 10.1021/jm3001373 | Plasmodium berghei | 11 |
| 22390538 | 10.1021/jm3001373 | Liver microsomes | 2 |
| 22390538 | 10.1021/jm3001373 | No relevant target | 2 |
| 22390538 | 10.1021/jm3001373 | Plasmodium falciparum | 2 |
| 22390538 | 10.1021/jm3001373 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine