Compound Detail
CHEMBL4060251
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N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NC2CCNCC2)n2c1nc1cc(Cl)cc(Cl)c12
Basic Information
| ChEMBL ID | CHEMBL4060251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QADLDFJSBFMEOV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.3
MW (Da)
6.52
ALogP
5
HBA
2
HBD
65.2
PSA (Ų)
0.33
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 260.0 | nM | 6.58 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| CHO | IC50 | = | 5900.0 | nM | 5.23 | Cytotoxicity against CHO cells after by MTT assay | 28094524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Plasmodium falciparum | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | CHO | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine