Compound Detail
CHEMBL1159947
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Basic Information
| ChEMBL ID | CHEMBL1159947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMWNOZXGYRPSCJ-FWZRCDJUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
2.23
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 8.66 | 7.83 | 2.2 | 3 |
| Neprilysin CHEMBL3768 | Ki | 6.84 | 6.84 | 146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 2.2 | nM | 8.66 | Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. | 10753476 |
| Aminopeptidase N | Ki | = | 2.2 | nM | 8.66 | Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for A+... | 10386926 |
| Neprilysin | Ki | = | 146.0 | nM | 6.84 | Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. | 10753476 |
| Aminopeptidase N | Ki | = | 670.0 | nM | 6.17 | Inhibitory activity was measured on pig kidney Aminopeptidase N (activity for C+... | 10386926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10386926 | 10.1016/s0960-894x(99)00236-x | Aminopeptidase N | 2 |
| 10753476 | 10.1021/jm990483l | Aminopeptidase N | 1 |
| 10753476 | 10.1021/jm990483l | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine