Compound Detail
CHEMBL4850193
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Basic Information
| ChEMBL ID | CHEMBL4850193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOBXYIWAJXAKSC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.93
ALogP
4
HBA
2
HBD
64.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.64 | 7.1267 | 23.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.06667 | hr | Mus musculus |
| T1/2 | 2.883 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as reduction in... | 34058708 |
| Plasmodium falciparum | IC50 | = | 133.0 | nM | 6.88 | Antimalarial activity against artemisinin-sensitive Plasmodium falciparum Cam3.I... | 34058708 |
| Plasmodium falciparum | IC50 | = | 139.0 | nM | 6.86 | Antimalarial activity against artemisinin-resistant 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