Compound Detail
CHEMBL292726
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COP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL292726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQAGKXXVQNGWPF-RGCQKTGTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
2.74
ALogP
9
HBA
5
HBD
184.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 190.0 | nM | 6.72 | Compound was tested for the inhibition of human plasma renin(Hu Renin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80553-9 | Renin | 1 |
Data from ChEMBL 36 via Core Engine