Compound Detail
CHEMBL3600461
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
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1
Basic Information
| ChEMBL ID | CHEMBL3600461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYKFWZDWSXIVOD-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.3
MW (Da)
5.07
ALogP
5
HBA
1
HBD
83.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 88000.0 | nM | 4.06 | Inhibition of beta-hematin formation | 25573118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25573118 | 10.1016/j.bmc.2014.12.020 | Plasmodium falciparum | 1 |
| 25573118 | 10.1016/j.bmc.2014.12.020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine