Compound Detail
CHEMBL36841
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Basic Information
| ChEMBL ID | CHEMBL36841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWAHVGCGZLUBFY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.11
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 7.29 | 7.29 | 51.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Aminopeptidase N CHEMBL2590 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 51.5 | nM | 7.29 | Inhibition of neutral endopeptidase activity in rabbit kidney with 20 nM [3H]D-A... | 2738884 |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Inhibition of dipeptidyl amino peptidase activity in rat brain with 10 nM [3H]Le... | 2738884 |
| Aminopeptidase N | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Aminopeptidase N activity in pig kidney with 10 nM [3H]Leu-enkepha... | 2738884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2738884 | 10.1021/jm00127a017 | Neprilysin | 1 |
| 2738884 | 10.1021/jm00127a017 | Aminopeptidase N | 1 |
| 2738884 | 10.1021/jm00127a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine