Compound Detail
CHEMBL5186584
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Basic Information
| ChEMBL ID | CHEMBL5186584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHUYJZKQBPLPDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.55
ALogP
5
HBA
1
HBD
55.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human recombinant renin using Nma-Lys-His-Pro-Phe-His-Leu-Val-Ile-... | 35978678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35978678 | 10.1021/acsmedchemlett.2c00280 | Renin | 2 |
Data from ChEMBL 36 via Core Engine