Compound Detail
CHEMBL16046
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Basic Information
| ChEMBL ID | CHEMBL16046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJCFZTVYDSKXNM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
0.33
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibition of enkephalinase purified from rat kidney. | 3897541 |
| Unchecked | IC50 | = | 2.1 | nM | 8.68 | Inhibitory activity against rat brain Dipeptidyl aminopeptidase using 10 nM of [... | 3897541 |
| Aminopeptidase N | IC50 | = | 7.1 | nM | 8.15 | Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-... | 3897541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3897541 | 10.1021/jm00147a007 | Neprilysin | 1 |
| 3897541 | 10.1021/jm00147a007 | Unchecked | 1 |
| 3897541 | 10.1021/jm00147a007 | Aminopeptidase N | 1 |
Data from ChEMBL 36 via Core Engine