Compound Detail
CHEMBL3677671
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C[C@@H](C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(O)no1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3677671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQBHIPADCOQVIZ-UGSOOPFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
4.15
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
| Membrane metallo-endopeptidase-like 1 CHEMBL3638356 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.04 | nM | 10.4 | Fluorescence Lifetime-Based Assay: See A fluorescence lifetime-based assay for p... | - |
| Membrane metallo-endopeptidase-like 1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition Assay: Recombinant human neutral endopeptidase (expressed in insect c... | - |
Data from ChEMBL 36 via Core Engine