Compound Detail
CHEMBL78489
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Basic Information
| ChEMBL ID | CHEMBL78489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOUTYVWHWSUKPL-NCWAPJAISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
1.85
ALogP
3
HBA
4
HBD
82.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.46 | 5.97 | 34.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 34.67 | nM | 7.46 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
| Angiotensin-converting enzyme | IC50 | = | 33113.11 | nM | 4.48 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 2 |
Data from ChEMBL 36 via Core Engine