Compound Detail
CHEMBL127420
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CCC(C)CNC(=O)CP(=O)(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL127420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQDBBPUTYSTPQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
662.8
MW (Da)
3.49
ALogP
7
HBA
6
HBD
191.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 110.0 | nM | 6.96 | Binding affinity of compound against endothiapepsin | 8254610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254610 | 10.1021/jm00076a008 | Renin | 1 |
| 8254610 | 10.1021/jm00076a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine