Compound Detail
CHEMBL230261
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Basic Information
| ChEMBL ID | CHEMBL230261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQONVFYJFFOPQX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.58
ALogP
7
HBA
2
HBD
107.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.08333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 120.0 | nM | 6.92 | Inhibition of renin | 17482464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Renin | 1 |
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Cytochrome P450 3A4 | 1 |
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Liver microsomes | 1 |
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Cathepsin D | 1 |
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Cathepsin E | 1 |
| 17482464 | 10.1016/j.bmcl.2007.04.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine