Compound Detail
CHEMBL434492
CANDOXATRILAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL434492 |
| Name | CANDOXATRILAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ACZWIDANLCXHBM-HRCADAONSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names
Molecular Properties
399.5
MW (Da)
2.06
ALogP
5
HBA
3
HBD
122.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 7.8 | nM | 8.11 | Inhibition of neutral endopeptidase | 21515054 |
| Neprilysin | IC50 | = | 38.0 | nM | 7.42 | The compound was tested for its inhibitory activity against neutral endopeptidas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80674-5 | Neprilysin | 1 |
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 1 |
| 21515054 | 10.1016/j.bmcl.2011.03.109 | Neprilysin | 1 |
| 21515054 | 10.1016/j.bmcl.2011.03.109 | Natriuretic peptides A | 1 |
Data from ChEMBL 36 via Core Engine