Compound Detail
CHEMBL31466
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL31466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBQHXMHGXWOGFR-ZWXJPIIXSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
6.49
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 8.3 | 7.296 | 5.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 5.0 | nM | 8.3 | Inhibitory activity against purified recombinant human renin | 10360745 |
| Renin | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant renin in buffer | 20731374 |
| Renin | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibitory activity against purified recombinant human renin | 10360744 |
| Renin | IC50 | = | 1300.0 | nM | 5.89 | Inhibitory activity against human plasma renin | 10360745 |
| Renin | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of renin in plasma | 20731374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10360745 | 10.1016/s0960-894x(99)00196-1 | Renin | 3 |
| 10360745 | 10.1016/s0960-894x(99)00196-1 | No relevant target | 2 |
| 20731374 | 10.1021/jm901885s | Renin | 2 |
| 10360744 | 10.1016/s0960-894x(99)00195-x | Renin | 1 |
Data from ChEMBL 36 via Core Engine