Compound Detail
CHEMBL51715
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Basic Information
| ChEMBL ID | CHEMBL51715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKNXEECYUOGSBZ-GXSJLCMTSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
1.36
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.32
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 9.32 | 8.78 | 0.5 | 2 |
| Neprilysin CHEMBL1944 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.48 | nM | 9.32 | Concentration for 50% inhibition of activity of rat kidney enkephalinase | 3517331 |
| Neprilysin | Ki | = | 0.7 | nM | 9.15 | Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after... | 24927250 |
| Neprilysin | IC50 | = | 5.7 | nM | 8.24 | In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric as... | - |
| Angiotensin-converting enzyme | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using H... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80371-1 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80371-1 | Angiotensin-converting enzyme | 1 |
| - | 10.1016/S0960-894X(01)80371-1 | Rattus norvegicus | 1 |
| 3517331 | 10.1021/jm00155a027 | Neprilysin | 1 |
| 24927250 | 10.1021/jm500602h | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine