Compound Detail
CHEMBL309962
RENTIAPRIL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL309962 |
| Name | RENTIAPRIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BSHDUMDXSRLRBI-JOYOIKCWSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
1
Known Names
Molecular Properties
313.4
MW (Da)
1.74
ALogP
5
HBA
3
HBD
77.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 8.43
Ki 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.43 | 8.0667 | 3.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 2.2 | nM | 8.66 | Inhibition of ACE (unknown origin) | 36096342 |
| Angiotensin-converting enzyme | IC50 | = | 3.715 | nM | 8.43 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
| Angiotensin-converting enzyme | IC50 | = | 6.0 | nM | 8.22 | Inhibition of ACE (unknown origin) | 36096342 |
| Angiotensin-converting enzyme | IC50 | = | 28.18 | nM | 7.55 | Inhibition of ACE (unknown origin) | 36096342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36096342 | 10.1016/j.bmcl.2022.128983 | Angiotensin-converting enzyme | 3 |
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine