Compound Detail
CHEMBL40508
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Basic Information
| ChEMBL ID | CHEMBL40508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODMTWOKJHVPSLP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
1.03
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosol aminopeptidase CHEMBL3965 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosol aminopeptidase | Ki | = | 1000.0 | nM | 6.0 | Inhibition of Leucine aminopeptidase isolated from porcine kidney. | 3625708 |
| Aminopeptidase N | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of pig kidney aminopeptidase N using Leu-AMC as substrate | 20347318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3625708 | 10.1021/jm00392a014 | Cytosol aminopeptidase | 1 |
| 20347318 | 10.1016/j.bmc.2010.02.056 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine