Compound Detail
CHEMBL90157
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
CN(C)c1cccc2c(S(=O)(=O)NCCCN3CCN(CCCNc4ccnc5cc(Cl)ccc45)CC3)cccc12
Basic Information
| ChEMBL ID | CHEMBL90157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMJDHHMLWDCLGU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
595.2
MW (Da)
4.90
ALogP
7
HBA
2
HBD
80.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.64 | 7.295 | 23.0 | 2 |
| ScN2a CHEMBL613872 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 12182868 |
| Plasmodium falciparum | IC50 | = | 112.0 | nM | 6.95 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 | 16913719 |
| ScN2a | EC50 | = | 500.0 | nM | 6.3 | 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 |
| 12182868 | 10.1016/s0960-894x(02)00475-4 | Plasmodium falciparum | 1 |
| 16913719 | 10.1021/jm0602763 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine