Compound Detail
CHEMBL495353
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
Clc1ccc2c(N3CCN(C4CCC5(CC4)OOC4(O5)C5CC6CC(C5)CC4C6)CC3)ccnc2c1
Basic Information
| ChEMBL ID | CHEMBL495353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCIXARRIKXHCMO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
510.1
MW (Da)
5.78
ALogP
6
HBA
0
HBD
47.1
PSA (Ų)
0.48
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.9 | 7.74 | 12.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12.61 | nM | 7.9 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 19251414 |
| Plasmodium falciparum | IC50 | = | 26.21 | nM | 7.58 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 inf... | 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