Compound Detail
CHEMBL100586
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C[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL100586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUKHDGIMURKPAP-UXPWSPDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
1.97
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-hi... | 2913292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2913292 | 10.1021/jm00122a003 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine