Compound Detail
CHEMBL420253
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O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NCP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL420253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTFIACKHINSWKI-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
2.51
ALogP
5
HBA
6
HBD
156.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 6.65 | 6.65 | 226.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 226.0 | nM | 6.65 | In vitro inhibitory concentration against neutral endopeptidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80703-4 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80703-4 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine