Compound Detail
CHEMBL4442042
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
Br.Br.CCCCCCc1ccc(S(=O)(=O)[C@@H]2[C@H](NCc3cccc(Br)c3)[C@@H]3CC[C@H]2N3)cc1
Basic Information
| ChEMBL ID | CHEMBL4442042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLURVUOYYCRJSR-VOGDVKQJSA-N |
| Parent Compound | CHEMBL4595565 |
| Active Moiety | CHEMBL4595565 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.5
MW (Da)
5.01
ALogP
4
HBA
2
HBD
58.2
PSA (Ų)
0.45
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmepsin 4 CHEMBL3988607 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin 4 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled pep... | 31062983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin II | 1 |
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin 4 | 1 |
Data from ChEMBL 36 via Core Engine