Compound Detail
CHEMBL2335171
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
CC1=C(C(=O)NCCN(C)C)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1
Basic Information
| ChEMBL ID | CHEMBL2335171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBRGXDUNYREMFC-CPNJWEJPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
3.58
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
| L6 CHEMBL614793 | EC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 650.0 | nM | 6.19 | Antimalarial activity against erythrocytic stage of chloroquine and pyrimethamin... | 23517371 |
| L6 | EC50 | = | 47000.0 | nM | 4.33 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar blue assay | 23517371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517371 | 10.1021/jm400009c | No relevant target | 3 |
| 23517371 | 10.1021/jm400009c | Liver | 1 |
| 23517371 | 10.1021/jm400009c | L6 | 1 |
| 23517371 | 10.1021/jm400009c | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine