Compound Detail
CHEMBL5409978
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Basic Information
| ChEMBL ID | CHEMBL5409978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPDWPVRCHRMIRD-ONEGZZNKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
5.71
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.38 | 6.17 | 420.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.04 | 5.04 | 9050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 420.0 | nM | 6.38 | Antimalarial activity against erythrocytic stage of chloroquine-sensitive Plasmo... | 37696205 |
| Plasmodium falciparum | IC50 | = | 1090.0 | nM | 5.96 | Antimalarial activity against erythrocytic stage of chloroquine-resistant Plasmo... | 37696205 |
| HepG2 | IC50 | = | 9050.0 | nM | 5.04 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 37696205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37696205 | 10.1016/j.bmc.2023.117468 | Plasmodium falciparum | 2 |
| 37696205 | 10.1016/j.bmc.2023.117468 | Unchecked | 1 |
| 37696205 | 10.1016/j.bmc.2023.117468 | HepG2 | 1 |
| 37696205 | 10.1016/j.bmc.2023.117468 | ADMET | 1 |
| 37696205 | 10.1016/j.bmc.2023.117468 | Plasmodium berghei | 1 |
| 37696205 | 10.1016/j.bmc.2023.117468 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine