Compound Detail
CHEMBL495021
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CN1CCN(CCC(=O)NC2CC3(N4CCCCC4)CC(c4ccccc4)C2C(c2ccccc2)C3)CC1
Basic Information
| ChEMBL ID | CHEMBL495021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYIQPSSWHKZILG-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
514.8
MW (Da)
4.71
ALogP
4
HBA
1
HBD
38.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.55 | 6.55 | 280.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.21 | 4.21 | 61060.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 280.0 | nM | 6.55 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 19395265 |
| Plasmodium falciparum | IC50 | = | 280.0 | nM | 6.55 | Antiplasmodial activity against Plasmodium falciparum K1 infected in human blood... | 20709557 |
| Trypanosoma brucei rhodesiense | IC50 | = | 860.0 | nM | 6.07 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 72 hrs by... | 19395265 |
| L6 | IC50 | = | 61060.0 | nM | 4.21 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 19395265 |
| L6 | IC50 | = | 61060.0 | nM | 4.21 | Cytotoxicity against rat L6 cells | 20709557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19395265 | 10.1016/j.bmc.2009.04.002 | Unchecked | 2 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | Plasmodium falciparum | 1 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | Trypanosoma brucei rhodesiense | 1 |
| 19395265 | 10.1016/j.bmc.2009.04.002 | L6 | 1 |
| 20709557 | 10.1016/j.bmc.2010.07.046 | Plasmodium falciparum | 1 |
| 20709557 | 10.1016/j.bmc.2010.07.046 | L6 | 1 |
| 20709557 | 10.1016/j.bmc.2010.07.046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine