Compound Detail
CHEMBL1783184
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CCCCNC(=O)C(CC(=O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1783184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZRPRQTZEDQUGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
728.0
MW (Da)
5.11
ALogP
7
HBA
4
HBD
167.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.7 | nM | 9.15 | Inhibition of human renin | 21497958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21497958 | 10.1016/j.ejmech.2011.03.035 | Renin | 1 |
Data from ChEMBL 36 via Core Engine