Compound Detail
CHEMBL345264
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Clc1ccc2c(NCCCN3CCN(CCCN(Cc4cccc5ccccc45)Cc4cccc5ccccc45)CC3)ccnc2c1
Basic Information
| ChEMBL ID | CHEMBL345264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYUCGOFWANIWJD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
642.3
MW (Da)
8.71
ALogP
5
HBA
1
HBD
34.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.67
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.67 | 6.67 | 215.0 | 2 |
| ScN2a CHEMBL613872 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 215.0 | nM | 6.67 | In vitro antimalarial activity against Plasmodium falciparum FcB1 | 12570376 |
| Plasmodium falciparum | IC50 | = | 215.0 | nM | 6.67 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 16913719 |
| ScN2a | EC50 | = | 300.0 | nM | 6.52 | Inhibition of scrapie prion formation in mouse ScN2a cell line relative to contr... | 16913719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913719 | 10.1021/jm0602763 | ScN2a | 4 |
| 16913719 | 10.1021/jm0602763 | MRC5 | 2 |
| 12570376 | 10.1021/jm020960r | Plasmodium falciparum | 1 |
| 12570376 | 10.1021/jm020960r | MRC5 | 1 |
| 16913719 | 10.1021/jm0602763 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine