Compound Detail
CHEMBL57623
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Basic Information
| ChEMBL ID | CHEMBL57623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOZHIAIAXILPEC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
1.55
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.49 | 6.35 | 32.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 3.7 | nM | 8.43 | Inhibition of [3H]Ala2-Leu-enkephalin binding to Neutral endopeptidase (NEP) | 2900898 |
| Unchecked | IC50 | = | 32.5 | nM | 7.49 | Inhibition of [3H]Leu-enkephalin binding to Dipeptidyl aminopeptidase (DAP) | 2900898 |
| Unchecked | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of [3H]Leu-enkephalin binding to aminopeptidase | 2900898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2900898 | 10.1021/jm00117a025 | Unchecked | 2 |
| 2900898 | 10.1021/jm00117a025 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine