Compound Detail
CHEMBL120658
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CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL120658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZCMMOULBWVNBF-ZYILYJJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
842.1
MW (Da)
0.01
ALogP
10
HBA
11
HBD
316.8
PSA (Ų)
0.03
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | Ki | = | 100.0 | nM | 7.0 | Antihypertensive activity against human renin | 6267277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6267277 | 10.1021/jm00136a001 | Renin | 1 |
Data from ChEMBL 36 via Core Engine