Compound Detail
CHEMBL375521
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Basic Information
| ChEMBL ID | CHEMBL375521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSMFYKLOASBXPA-SDXDJHTJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.71
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.17
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL4117 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 5.49 | 5.49 | 3238.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | IC50 | = | 13.0 | nM | 7.89 | Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase | 17326615 |
| Aminopeptidase N | IC50 | = | 3238.0 | nM | 5.49 | Inhibition of pig kidney microsomal APN | 17326615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326615 | 10.1021/jm061169b | Aminopeptidase N | 2 |
| 17326615 | 10.1021/jm061169b | No relevant target | 2 |
| 17326615 | 10.1021/jm061169b | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine