Compound Detail
CHEMBL85002
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
Basic Information
| ChEMBL ID | CHEMBL85002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQFIPESXGGQKLO-HZFREWSRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.67
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.77 | 7.3467 | 17.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 17.0 | nM | 7.77 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 9871509 |
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... | 12773055 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... | 12773055 |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... | 12773055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773055 | 10.1021/jm020584a | Unchecked | 3 |
| 9871509 | 10.1016/s0960-894x(98)00141-3 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine