Compound Detail
CHEMBL386032
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CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL386032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSOINDCCNZYVMS-IRXDYDNUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.55
ALogP
5
HBA
2
HBD
113.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 4.47 | 4.47 | 33600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 33600.0 | nM | 4.47 | Inhibition of recombinant ACE N domain | 16784850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16784850 | 10.1016/j.bmcl.2006.06.003 | Angiotensin-converting enzyme | 2 |
| 16784850 | 10.1016/j.bmcl.2006.06.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine