Compound Detail
CHEMBL286181
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CC(C)OP(=O)([O-])N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-].[K+].[K+]
Basic Information
| ChEMBL ID | CHEMBL286181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQIDEFJHIXNNTL-CDEWPDHBSA-L |
| Parent Compound | CHEMBL1206591 |
| Active Moiety | CHEMBL1206591 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
0.57
ALogP
4
HBA
3
HBD
116.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 1.4 | nM | 8.85 | Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5 | 2995664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2995664 | 10.1021/jm00148a008 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine