Compound Detail
CHEMBL3617917
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Basic Information
| ChEMBL ID | CHEMBL3617917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZCNCXZCPQQXAQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.9
MW (Da)
5.75
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | EC50 | 5.37 | 5.37 | 4240.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.3 | 5.25 | 5010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | EC50 | = | 4240.0 | nM | 5.37 | Cytotoxicity against human HepG2A16 cells after 48 hrs by MTT assay | 26295174 |
| Plasmodium falciparum | EC50 | = | 5010.0 | nM | 5.3 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 in... | 26295174 |
| Plasmodium falciparum | EC50 | = | 6300.0 | nM | 5.2 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 26295174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26295174 | 10.1016/j.ejmech.2015.07.047 | Plasmodium falciparum | 3 |
| 26295174 | 10.1016/j.ejmech.2015.07.047 | Unchecked | 2 |
| 26295174 | 10.1016/j.ejmech.2015.07.047 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine