Compound Detail
CHEMBL78805
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Basic Information
| ChEMBL ID | CHEMBL78805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZNHVGDPAISWIY-RQJHMYQMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
229.2
MW (Da)
0.17
ALogP
3
HBA
2
HBD
94.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.99 | 4.99 | 10232.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | Ki | = | 2500.0 | nM | 5.6 | Antihypertensive activity against human renin | 6267277 |
| Angiotensin-converting enzyme | IC50 | = | 10232.93 | nM | 4.99 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 6267277 | 10.1021/jm00136a001 | Renin | 1 |
Data from ChEMBL 36 via Core Engine