Compound Detail
CHEMBL272013
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
COc1c(C)c(Cc2ccc(CC(=O)N(CCNc3ccnc4cc(Cl)ccc34)C(C)C)cc2)c(OC)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL272013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWBCHMOBMATTAY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
596.2
MW (Da)
7.85
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.57 | 6.535 | 268.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 268.3 | nM | 6.57 | Antiparasitic activity against chloroquine-resistant Plasmodium falciparum K1 | 18260613 |
| Plasmodium falciparum | IC50 | = | 318.7 | nM | 6.5 | Antiparasitic activity against chloroquine-sensitive Plasmodium falciparum 3D7 | 18260613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260613 | 10.1021/jm7009292 | Plasmodium falciparum | 3 |
| 18260613 | 10.1021/jm7009292 | KB | 1 |
Data from ChEMBL 36 via Core Engine