Compound Detail
CHEMBL39538
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL39538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZFZMUMEGBBDTC-JDLVMGNASA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
1.13
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Renin CHEMBL286 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1.202 | nM | 8.92 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
| Renin | Ki | = | 1.2 | nM | 8.92 | Antihypertensive activity against human renin | 6267277 |
| Angiotensin-converting enzyme | IC50 | = | 4.5 | nM | 8.35 | Inhibition of Angiotensin I converting enzyme | 2995669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6267277 | 10.1021/jm00136a001 | Renin | 1 |
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 2995669 | 10.1021/jm00148a023 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine