Compound Detail
CHEMBL4849926
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Basic Information
| ChEMBL ID | CHEMBL4849926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJFVXBYTVBIRDT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.32
ALogP
5
HBA
2
HBD
73.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.37 | 6.94 | 43.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Mus musculus |
| T1/2 | 2.067 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 43.0 | nM | 7.37 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as reduction in... | 34058708 |
| Plasmodium falciparum | IC50 | = | 168.0 | nM | 6.78 | Antimalarial activity against artemisinin-resistant Plasmodium falciparum Cam3.I... | 34058708 |
| Plasmodium falciparum | IC50 | = | 212.0 | nM | 6.67 | Antimalarial activity against artemisinin-sensitive Plasmodium falciparum Cam3.I... | 34058708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34058708 | 10.1016/j.ejmech.2021.113518 | ADMET | 5 |
| 34058708 | 10.1016/j.ejmech.2021.113518 | Plasmodium falciparum | 3 |
| 34058708 | 10.1016/j.ejmech.2021.113518 | No relevant target | 2 |
| 34058708 | 10.1016/j.ejmech.2021.113518 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine