Compound Detail
CHEMBL4868499
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
CCc1cccc(CNC(=O)c2nc3cccc(CSCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL4868499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJYMKOKKNAIILT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.55
ALogP
5
HBA
3
HBD
112.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.26 | 5.26 | 5540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5540.0 | nM | 5.26 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human eryt... | 34437804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34437804 | 10.1021/acs.jmedchem.1c00441 | HEK293 | 1 |
| 34437804 | 10.1021/acs.jmedchem.1c00441 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine