Compound Detail
CHEMBL163601
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Basic Information
| ChEMBL ID | CHEMBL163601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STSXPRQZGIYTDA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
217.3
MW (Da)
0.53
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8459398 | 10.1021/jm00058a006 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine