Compound Detail
CHEMBL34389
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C[C@H](NP(=O)([O-])CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL34389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXVGHSKKDIECNP-FORAGAHYSA-L |
| Parent Compound | CHEMBL309601 |
| Active Moiety | CHEMBL309601 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
1.47
ALogP
3
HBA
3
HBD
106.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 0.5 | nM | 9.3 | Inhibition of Angiotensin I converting enzyme from rabbit lungs at pH 7.5 | 2995664 |
| Angiotensin-converting enzyme | IC50 | = | 7.0 | nM | 8.15 | Inhibitory activity against Angiotensin I converting enzyme was evaluated | 2995664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2995664 | 10.1021/jm00148a008 | Angiotensin-converting enzyme | 2 |
Data from ChEMBL 36 via Core Engine