Compound Detail
CHEMBL149489
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
CC[N+](CC)(CC)CCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL149489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQCCOTUBLOHCTD-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1180984 |
| Active Moiety | CHEMBL1180984 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.9
MW (Da)
10.15
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.07
QED
1
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | In vitro activity against Plasmodium falciparum | 10669577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669577 | 10.1021/jm9911027 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine