Compound Detail
CHEMBL4583048
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Basic Information
| ChEMBL ID | CHEMBL4583048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USPUDGHNJPCVCI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.74
ALogP
9
HBA
3
HBD
92.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.48 | 5.48 | 3310.0 | 1 |
| L929 CHEMBL612267 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 3310.0 | nM | 5.48 | Antiplasmodial activity against Plasmodium falciparum 3D7A erythrocytic stage as... | 31566384 |
| L929 | EC50 | = | 100000.0 | nM | 4.0 | Cytotoxicity against mouse L929 cells assessed as reduction in viability by dual... | 31566384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31566384 | 10.1021/acs.jmedchem.9b01099 | Plasmodium falciparum | 3 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | No relevant target | 3 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | ADMET | 3 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | cGMP-dependent protein kinase | 1 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | L929 | 1 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine