Compound Detail
CHEMBL434617
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CC(NC(C(=O)O)C1CCCN1C(=O)NC(CCCCN)C(=O)N1C(=O)CCC1C(=O)O)C(=O)N1CCCC1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL434617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAJCZGOCKUWCRG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
-1.23
ALogP
9
HBA
6
HBD
240.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 8.5 | nM | 8.07 | In vitro inhibitory activity against Angiotensin I converting enzyme | 2984419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2984419 | 10.1021/jm00382a008 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine