Compound Detail
CHEMBL259648
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Basic Information
| ChEMBL ID | CHEMBL259648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKAOAMPTWKJEON-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.44
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.12 | 8.06 | 7.5 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.645 | hr | Homo sapiens |
| T1/2 | 0.165 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7.54 | nM | 8.12 | Antimalarial activity against Plasmodium falciparum W2 | 18330976 |
| Plasmodium falciparum | IC50 | = | 9.4 | nM | 8.03 | Antimalarial activity against Plasmodium falciparum D6 | 18330976 |
| Plasmodium falciparum | IC50 | = | 9.27 | nM | 8.03 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM91C235 | 18330976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18330976 | 10.1021/jm701417a | Plasmodium falciparum | 6 |
| 18330976 | 10.1021/jm701417a | Plasmodium berghei | 4 |
| 18330976 | 10.1021/jm701417a | Liver microsomes | 1 |
| 18330976 | 10.1021/jm701417a | Liver | 1 |
Data from ChEMBL 36 via Core Engine