Compound Detail
CHEMBL4558605
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Basic Information
| ChEMBL ID | CHEMBL4558605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMRXWGIWQNOVPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.7
MW (Da)
6.93
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmepsin II CHEMBL4414 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin II | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Plasmodium falciparum plasmepsin 2 using fluorescently labeled pep... | 31062983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31062983 | 10.1021/acs.jmedchem.9b00184 | Plasmepsin II | 1 |
Data from ChEMBL 36 via Core Engine