Compound Detail
CHEMBL611148
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Basic Information
| ChEMBL ID | CHEMBL611148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYVFGQVIZOKXTN-KWQFWETISA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.59
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.59 | 6.445 | 2.6 | 2 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.43 | 8.325 | 3.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 2.6 | nM | 8.59 | Ability to inhibit Angiotensin I converting enzyme was determined | 6330355 |
| Angiotensin-converting enzyme | IC50 | = | 3.7 | nM | 8.43 | Inhibition of Angiotensin I converting enzyme | 2983076 |
| Angiotensin-converting enzyme | IC50 | = | 6.026 | nM | 8.22 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
| Angiotensin-converting enzyme | IC50 | = | 50000.0 | nM | 4.3 | In vitro inhibition of Angiotensin I converting enzyme | 6310112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 6310112 | 10.1021/jm00363a011 | Angiotensin-converting enzyme | 1 |
| 6330355 | 10.1021/jm00372a022 | Angiotensin-converting enzyme | 1 |
| 2983076 | 10.1021/jm00381a021 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine