Compound Detail
CHEMBL495354
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
COc1ccc2nc3cc(Cl)ccc3c(NCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)c2c1
Basic Information
| ChEMBL ID | CHEMBL495354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMPACDQICANCEX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
564.1
MW (Da)
6.82
ALogP
7
HBA
2
HBD
73.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.14 | 8.08 | 7.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7.2 | nM | 8.14 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 inf... | 19251414 |
| Plasmodium falciparum | IC50 | = | 9.67 | nM | 8.02 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 19251414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19251414 | 10.1016/j.bmcl.2009.02.013 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine