Compound Detail
CHEMBL5435721
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Basic Information
| ChEMBL ID | CHEMBL5435721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFQCJMPFZMAGBQ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
509.4
MW (Da)
4.48
ALogP
8
HBA
3
HBD
108.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.77
EC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.77 | 6.652 | 17.0 | 5 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Inhibition of Plasmodium falciparum PKB incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 56.0 | nM | 7.25 | Inhibition of Plasmodium falciparum PK9 incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Plasmodium falciparum NEK3 incubated for 2 hrs by luciferin-reagen... | 38116430 |
| Unchecked | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Plasmodium falciparum ARK1 incubated for 2 hrs by luciferin-reagen... | 38116430 |
| Plasmodium falciparum | EC50 | = | 430.0 | nM | 6.37 | Antimalarial activity against blood stage Plasmodium falciparum 3D7 assessed as ... | 38116430 |
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of Plasmodium falciparum ARK3 incubated for 2 hrs by luciferin-reagen... | 38116430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116430 | 10.1021/acsmedchemlett.3c00354 | Unchecked | 10 |
| 38116430 | 10.1021/acsmedchemlett.3c00354 | ADMET | 3 |
| 38116430 | 10.1021/acsmedchemlett.3c00354 | Plasmodium falciparum | 2 |
| 38116430 | 10.1021/acsmedchemlett.3c00354 | No relevant target | 2 |
| 38116430 | 10.1021/acsmedchemlett.3c00354 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine