Compound Detail
CHEMBL5219009
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Basic Information
| ChEMBL ID | CHEMBL5219009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEGAGKBADCVGBI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.24
ALogP
2
HBA
2
HBD
58.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.03 | 5.925 | 940.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 4.24 | 4.24 | 57500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 940.0 | nM | 6.03 | Antiplasmodial activity against multidrug resistant asexual blood stage Plasmodi... | 33666415 |
| Plasmodium falciparum | IC50 | = | 1500.0 | nM | 5.82 | Antiplasmodial activity against chloroquine-sensitive asexual blood stage Plasmo... | 33666415 |
| HepG2 | IC50 | = | 57500.0 | nM | 4.24 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth inc... | 33666415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33666415 | 10.1021/acs.jmedchem.0c01744 | Plasmodium falciparum | 2 |
| 33666415 | 10.1021/acs.jmedchem.0c01744 | HepG2 | 1 |
| 33666415 | 10.1021/acs.jmedchem.0c01744 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine