Compound Detail
CHEMBL379386
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Basic Information
| ChEMBL ID | CHEMBL379386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYDGHRZFSRBHSA-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
5.34
ALogP
5
HBA
2
HBD
63.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.9
IC50 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.9 | 6.7767 | 125.0 | 3 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 6.79 | 6.79 | 163.3 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL4750 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 125.0 | nM | 6.9 | Antimalarial activity against Plasmodium falciparum 3D7 asexual blood stage infe... | 28080063 |
| Plasmodium yoelii | IC50 | = | 163.3 | nM | 6.79 | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium ... | 22096101 |
| Plasmodium falciparum | EC50 | = | 192.5 | nM | 6.72 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 195.5 | nM | 6.71 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells | 16698266 |
| HepG2 | EC50 | = | 19000.0 | nM | 4.72 | Cytotoxicity against human HepG2 cells assessed as growth inhibition after 48 hr... | 28080063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 3 |
| 16698266 | 10.1016/j.bmcl.2006.04.042 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 30258545 | 10.1021/acsmedchemlett.8b00296 | Son of sevenless homolog 1 | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Plasmodium falciparum | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | HepG2 | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine