Compound Detail
CHEMBL450654
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
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OCCNc5ccnc6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL450654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZZJNRWXLCKHIO-PANYSFOQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
711.3
MW (Da)
8.02
ALogP
9
HBA
1
HBD
113.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.48 | 7.2467 | 33.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 33.05 | nM | 7.48 | Antimalarial activity against chloroquine,mefloquine-sensitive Plasmodium falcip... | 18637666 |
| Plasmodium falciparum | IC50 | = | 50.52 | nM | 7.3 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM91C235 | 18637666 |
| Plasmodium falciparum | IC50 | = | 111.03 | nM | 6.96 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 18637666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18637666 | 10.1021/jm800737y | Plasmodium falciparum | 6 |
| 18637666 | 10.1021/jm800737y | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine