Compound Detail
CHEMBL1094992
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CC(C)(CN1C(=O)c2cccc3c(N)ccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3c(N)ccc(c23)C1=O.[Br-].[Br-]
Basic Information
| ChEMBL ID | CHEMBL1094992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMLUCEVRAOMYRE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1199132 |
| Active Moiety | CHEMBL1199132 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
735.0
MW (Da)
6.82
ALogP
6
HBA
2
HBD
126.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.17 | 5.15 | 6760.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6760.0 | nM | 5.17 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 20382538 |
| Plasmodium falciparum | IC50 | = | 7390.0 | nM | 5.13 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 20382538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20382538 | 10.1016/j.bmc.2010.03.067 | Plasmodium falciparum | 2 |
| 20382538 | 10.1016/j.bmc.2010.03.067 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine