Compound Detail
CHEMBL354470
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Basic Information
| ChEMBL ID | CHEMBL354470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKIVRALZQSUWHH-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
-0.16
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.15 | 6.9033 | 7.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
| Angiotensin-converting enzyme | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
| Angiotensin-converting enzyme | IC50 | = | 24.0 | nM | 7.62 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
| Angiotensin-converting enzyme | IC50 | = | 45.0 | nM | 7.35 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
| Angiotensin-converting enzyme | IC50 | = | 1800.0 | nM | 5.75 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
| Angiotensin-converting enzyme | IC50 | = | 23500.0 | nM | 4.63 | 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 | 10 |
| 8459398 | 10.1021/jm00058a006 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine