Compound Detail
CHEMBL5612641
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Basic Information
| ChEMBL ID | CHEMBL5612641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFPAZVXRBAEBNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.63
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 27.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 323.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 19.0 | nM | 7.72 | Antiplasmodial activity against asexual blood stage of Plasmodium falciparum 3D7... | 39024967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39024967 | 10.1016/j.ejmech.2024.116677 | ADMET | 5 |
| 39024967 | 10.1016/j.ejmech.2024.116677 | No relevant target | 2 |
| 39024967 | 10.1016/j.ejmech.2024.116677 | Plasmodium berghei | 2 |
| 39024967 | 10.1016/j.ejmech.2024.116677 | Plasmodium falciparum | 1 |
| 39024967 | 10.1016/j.ejmech.2024.116677 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine