Compound Detail
CHEMBL3221965
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Basic Information
| ChEMBL ID | CHEMBL3221965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBKZFAANHLYJOZ-YUMQZZPRSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
-0.31
ALogP
4
HBA
4
HBD
123.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 63.1 | nM | 7.2 | Inhibition of human NEP using N-Dansyl-D-Ala-Gly-p-nitro-Phe-Gly as substrate pr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD00287F | No relevant target | 2 |
| - | 10.1039/C2MD00287F | Neprilysin | 1 |
| - | 10.1039/C2MD00287F | Endothelin-converting enzyme 1 | 1 |
| - | 10.1039/C2MD00287F | Angiotensin-converting enzyme | 1 |
| - | 10.1039/C2MD00287F | Plasma | 1 |
| - | 10.1039/C2MD00287F | ADMET | 1 |
Data from ChEMBL 36 via Core Engine