Compound Detail
CHEMBL3401706
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3401706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHDHSKDGDSBTHW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3547064 |
| Active Moiety | CHEMBL3547064 |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
524.1
MW (Da)
5.75
ALogP
8
HBA
3
HBD
78.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.4 | 7.02 | 40.0 | 3 |
| HepG2 CHEMBL395 | IC50 | 5.02 | 5.02 | 9545.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.02 | 5.02 | 9545.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.02 | 5.02 | 9545.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Antimalarial activity against chloroquine-susceptible Plasmodium falciparum afri... | 25801154 |
| Plasmodium falciparum | IC50 | = | 134.0 | nM | 6.87 | Antimalarial activity against multidrug-resistant Plasmodium falciparum thailand... | 25801154 |
| Plasmodium falciparum | IC50 | = | 164.0 | nM | 6.79 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum indoch... | 25801154 |
| RAW264.7 | IC50 | = | 9545.0 | nM | 5.02 | Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay | 25801154 |
| HepG2 | IC50 | = | 9545.0 | nM | 5.02 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 25801154 |
| PBMC | IC50 | = | 9545.0 | nM | 5.02 | Cytotoxicity against human PBMC cells after 48 hrs by MTT assay | 25801154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25801154 | 10.1016/j.bmc.2015.02.061 | Unchecked | 9 |
| 25801154 | 10.1016/j.bmc.2015.02.061 | Plasmodium falciparum | 3 |
| 25801154 | 10.1016/j.bmc.2015.02.061 | RAW264.7 | 1 |
| 25801154 | 10.1016/j.bmc.2015.02.061 | HepG2 | 1 |
| 25801154 | 10.1016/j.bmc.2015.02.061 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine