Compound Detail
CHEMBL5193817
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Basic Information
| ChEMBL ID | CHEMBL5193817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBRKCUGLXYJKCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
2.20
ALogP
9
HBA
1
HBD
102.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4500.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1300.79 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 44.0 | nM | 7.36 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 35229610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Plasmodium falciparum | 3 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | ADMET | 2 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine