Compound Detail
CHEMBL385657
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CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Basic Information
| ChEMBL ID | CHEMBL385657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNMWOXHKUMOSNW-HKBQPEDESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
621.2
MW (Da)
5.18
ALogP
7
HBA
2
HBD
90.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
IC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ScN2a CHEMBL613872 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.41 | 6.41 | 390.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ScN2a | EC50 | = | 250.0 | nM | 6.6 | Inhibition of scrapie prion formation in mouse ScN2a cell line relative to contr... | 16913719 |
| Plasmodium falciparum | IC50 | = | 390.9 | nM | 6.41 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 16913719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913719 | 10.1021/jm0602763 | ScN2a | 4 |
| 16913719 | 10.1021/jm0602763 | MRC5 | 2 |
| 16913719 | 10.1021/jm0602763 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine