Compound Detail
CHEMBL2325355
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
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL2325355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEZNUIBYTZTSLP-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
9.12
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
EC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.46 | 7.268 | 35.0 | 5 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.43 | 7.345 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 35.0 | nM | 7.46 | Antimalarial activity against Plasmodium falciparum delta pfpm3 assessed as grow... | 23313245 |
| Plasmodium falciparum | EC50 | = | 37.0 | nM | 7.43 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 23313245 |
| Plasmodium falciparum | IC50 | = | 42.0 | nM | 7.38 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 as... | 23313245 |
| Plasmodium falciparum | EC50 | = | 55.0 | nM | 7.26 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... | 23313245 |
| Plasmodium falciparum | IC50 | = | 66.0 | nM | 7.18 | Antimalarial activity against Plasmodium falciparum delta pfpm4 assessed as grow... | 23313245 |
| Plasmodium falciparum | IC50 | = | 70.0 | nM | 7.16 | Antimalarial activity against Plasmodium falciparum delta pfpm2 assessed as grow... | 23313245 |
| Plasmodium falciparum | IC50 | = | 70.0 | nM | 7.16 | Antimalarial activity against Plasmodium falciparum delta pfpm1 assessed as grow... | 23313245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23313245 | 10.1016/j.bmcl.2012.12.022 | Plasmodium falciparum | 12 |
| 23313245 | 10.1016/j.bmcl.2012.12.022 | Plasmodium berghei | 2 |
Data from ChEMBL 36 via Core Engine