Compound Detail
CHEMBL4744834
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Basic Information
| ChEMBL ID | CHEMBL4744834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXLUPUZNJOSXGG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
2.58
ALogP
6
HBA
2
HBD
69.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 18000.0 | nM | 4.75 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 27631715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium falciparum | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine