Compound Detail
CHEMBL5218542
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Basic Information
| ChEMBL ID | CHEMBL5218542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOOGSZSYNQYHFP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5223031 |
| Active Moiety | CHEMBL5223031 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
5.65
ALogP
4
HBA
3
HBD
82.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.3 | 6.745 | 50.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antiplasmodial activity against chloroquine-sensitive asexual blood stage Plasmo... | 33666415 |
| Plasmodium falciparum | IC50 | = | 640.0 | nM | 6.19 | Antiplasmodial activity against multidrug resistant asexual blood stage Plasmodi... | 33666415 |
| HepG2 | IC50 | = | 15200.0 | nM | 4.82 | 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