Compound Detail
CHEMBL4740256
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
O=C(/C=C/C(=O)Nc1cccc(F)c1)NCCCCNc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
Basic Information
| ChEMBL ID | CHEMBL4740256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYISMMXUMIULSG-MDZDMXLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
5.91
ALogP
4
HBA
3
HBD
83.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2900.0 | nM | 5.54 | Antimalarial activity against CQ-sensitive Plasmodium falciparum 3D7 | 34655985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32631537 | 10.1016/j.bmcl.2020.127336 | Unchecked | 2 |
| 32631537 | 10.1016/j.bmcl.2020.127336 | Chromobacterium violaceum | 2 |
| 34655985 | 10.1016/j.ejmech.2021.113865 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine