Compound Detail
CHEMBL4435432
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Basic Information
| ChEMBL ID | CHEMBL4435432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBFAQCHKZADMIC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.9
MW (Da)
8.40
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmepsin II CHEMBL4414 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Plasmepsin I CHEMBL4687 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmepsin II | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 | 31913032 |
| Plasmepsin I | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant Plasmodium falciparum Plasmepsin 1 | 31913032 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant Plasmodium falciparum Plasmepsin 3 | 31913032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Plasmepsin II | 1 |
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Plasmepsin I | 1 |
| 31913032 | 10.1021/acs.jmedchem.9b01622 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine