Compound Detail
CHEMBL230153
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Basic Information
| ChEMBL ID | CHEMBL230153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRRWXMSVQYQCRX-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.76
ALogP
5
HBA
3
HBD
89.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 5.4 | 5.345 | 4000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of renin | 17482464 |
| Renin | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human recombinant renin in buffer | 20731374 |
| Renin | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of recombinant human renin expressed in CHOK1 cells by fluorescence G... | 28601508 |
| Renin | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of renin (unknown origin) | 24054120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Renin | 1 |
| 20731374 | 10.1021/jm901885s | Renin | 1 |
| 24054120 | 10.1016/j.bmcl.2013.08.030 | Renin | 1 |
| 28601508 | 10.1016/j.bmc.2017.05.032 | No relevant target | 1 |
| 28601508 | 10.1016/j.bmc.2017.05.032 | Renin | 1 |
Data from ChEMBL 36 via Core Engine