Compound Detail
CHEMBL1673264
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Basic Information
| ChEMBL ID | CHEMBL1673264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUVNRIHJECYMDX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.90
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.28 | 7.75 | 5.3 | 3 |
| ADMET CHEMBL612558 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5.3 | nM | 8.28 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... | 20547797 |
| Plasmodium falciparum | IC50 | = | 31.0 | nM | 7.51 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum TM90C2... | 20547797 |
| Plasmodium falciparum | IC50 | = | 35.0 | nM | 7.46 | Antiplasmodial activity against Plasmodium falciparum 3D7 by SYBR Green 1-based ... | 20547797 |
| ADMET | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity activity against human HAEC cells after 24 hrs | 20547797 |
| HepG2 | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity activity against human HepG2 cells after 24 hrs | 20547797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20547797 | 10.1128/aac.00431-10 | Plasmodium falciparum | 3 |
| 20547797 | 10.1128/aac.00431-10 | ADMET | 1 |
| 20547797 | 10.1128/aac.00431-10 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine