Compound Detail
CHEMBL1161022
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Basic Information
| ChEMBL ID | CHEMBL1161022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGGHNDGDVCUWQX-RITPCOANSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
-0.87
ALogP
3
HBA
4
HBD
127.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 1.4 | nM | 8.85 | Compound was evaluated for the inhibition of Angiotensin I converting enzyme | 2983076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2983076 | 10.1021/jm00381a021 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine