Compound Detail
CHEMBL390197
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Basic Information
| ChEMBL ID | CHEMBL390197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBIUIGNTQJKKIX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
4.79
ALogP
5
HBA
3
HBD
89.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 4.57 | 4.57 | 27000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of renin | 17482464 |
| Renin | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human recombinant renin in buffer | 20731374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Renin | 1 |
| 20731374 | 10.1021/jm901885s | Renin | 1 |
Data from ChEMBL 36 via Core Engine