Compound Detail
CHEMBL2370089
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(O)C=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNZLRPMTWSYJOJ-FKBYEOEOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
1.79
ALogP
5
HBA
4
HBD
136.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of Neutral endopeptidase | 10698448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10698448 | 10.1016/s0960-894x(99)00671-x | Angiotensin-converting enzyme | 1 |
| 10698448 | 10.1016/s0960-894x(99)00671-x | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine