Compound Detail
CHEMBL5613291
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Basic Information
| ChEMBL ID | CHEMBL5613291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRRREMUFMXBHDM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.51
ALogP
7
HBA
0
HBD
82.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 423.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 5.0 | nM | 8.3 | 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 | 2 |
| 39024967 | 10.1016/j.ejmech.2024.116677 | No relevant target | 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