Compound Detail
CHEMBL4854275
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Basic Information
| ChEMBL ID | CHEMBL4854275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKOHAQVMUVPJSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
3.68
ALogP
7
HBA
3
HBD
91.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2400.0 | nM | 5.62 | Antimalarial activity against chloroquine-sensitive plasmodium falciparum 3D7 in... | 34479064 |
| HepG2 | IC50 | = | 9600.0 | nM | 5.02 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth mea... | 34479064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34479064 | 10.1016/j.bmc.2021.116348 | Plasmodium falciparum | 1 |
| 34479064 | 10.1016/j.bmc.2021.116348 | HepG2 | 1 |
| 34479064 | 10.1016/j.bmc.2021.116348 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine