Compound Detail
CHEMBL416147
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Basic Information
| ChEMBL ID | CHEMBL416147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZJFKVHMXBGZBQ-ANYOKISRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.45
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 3.2 | nM | 8.49 | Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as sy... | 3035180 |
| Angiotensin-converting enzyme | IC50 | = | 70.0 | nM | 7.16 | Inhibitory activity against porcine plasma Angiotensin I converting enzyme | 2991518 |
| Angiotensin-converting enzyme | Ki | = | 100.0 | nM | 7.0 | Compound was evaluated for the inhibition of Angiotensin I converting enzyme | 2566685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991518 | 10.1021/jm00146a015 | Angiotensin-converting enzyme | 1 |
| 3035180 | 10.1021/jm00389a006 | Angiotensin-converting enzyme | 1 |
| 2566685 | 10.1021/jm00126a039 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine