Compound Detail
CHEMBL44291
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
CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cccc3c2C(=O)C=C(N2CC2)C3=O)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL44291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLHJVEPKRPGJSL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
5.40
ALogP
6
HBA
0
HBD
80.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | In vitro antimalarial activity against human malaria parasite, P falciparum (Vie... | 2033589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2033589 | 10.1021/jm00109a016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine