Compound Detail
CHEMBL5437763
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Basic Information
| ChEMBL ID | CHEMBL5437763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMXGYIUYEYQESD-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
596.5
MW (Da)
3.79
ALogP
9
HBA
3
HBD
117.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
EC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.3 | 6.6875 | 50.0 | 4 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Plasmodium falciparum PKB incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 72.0 | nM | 7.14 | Inhibition of Plasmodium falciparum PK9 incubated for 2 hrs by luciferin-reagent... | 38116430 |
| Unchecked | IC50 | = | 410.0 | nM | 6.39 | Inhibition of Plasmodium falciparum NEK3 incubated for 2 hrs by luciferin-reagen... | 38116430 |
| Plasmodium falciparum | EC50 | = | 540.0 | nM | 6.27 | Antimalarial activity against blood stage Plasmodium falciparum 3D7 assessed as ... | 38116430 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | 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 | 9 |
| 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