Compound Detail
CHEMBL91160
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Basic Information
| ChEMBL ID | CHEMBL91160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QADCERNTBWTXFV-JSGCOSHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
-0.34
ALogP
4
HBA
6
HBD
172.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 15848.93 | nM | 4.8 | Biological activity was measured against Angiotensin I converting enzyme | 7629809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 25016232 | 10.1016/j.ejmech.2014.07.015 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine