Compound Detail
CHEMBL220416
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Basic Information
| ChEMBL ID | CHEMBL220416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGWGKFAHRVODY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.89
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 6.28 | 6.28 | 527.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 527.0 | nM | 6.28 | Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase | 17326615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326615 | 10.1021/jm061169b | Aminopeptidase N | 3 |
Data from ChEMBL 36 via Core Engine