Compound Detail
CHEMBL271176
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COc1c(CN(CCNc2ccnc3cc(Cl)ccc23)C(C)C)c(C(F)(F)F)c(OC)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL271176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDDQJXZUGKJHDT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
7.40
ALogP
5
HBA
1
HBD
46.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.74 | 6.63 | 183.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 183.8 | nM | 6.74 | Antiparasitic activity against chloroquine-sensitive Plasmodium falciparum 3D7 | 18260613 |
| Plasmodium falciparum | IC50 | = | 298.9 | nM | 6.52 | Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 | 18260613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260613 | 10.1021/jm7009292 | Plasmodium falciparum | 2 |
| 18260613 | 10.1021/jm7009292 | KB | 1 |
Data from ChEMBL 36 via Core Engine