Compound Detail
CHEMBL281333
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CC(C)C[C@H](NCP(=O)(O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL281333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KORICWMIXKILNW-HOTGVXAUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
1.42
ALogP
4
HBA
6
HBD
151.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Endothelin-converting enzyme 1 CHEMBL2340 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 24.0 | nM | 7.62 | Inhibitory activity against neutral endopeptidase (NEP)prepared from microsomal ... | - |
| Endothelin-converting enzyme 1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of Endothelin-converting enzyme (ECE) from microsomal fractions of bo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80341-3 | Endothelin-converting enzyme 1 | 1 |
| - | 10.1016/S0960-894X(01)80341-3 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80341-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine