Compound Detail
CHEMBL445118
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CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1COCCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL445118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTUGRJBQGCGAQL-OOAKFPIBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
827.0
MW (Da)
1.54
ALogP
11
HBA
6
HBD
239.2
PSA (Ų)
0.13
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3276890 | 10.1021/jm00397a003 | Renin | 2 |
| 3276890 | 10.1021/jm00397a003 | Pepsin A | 2 |
| 3276890 | 10.1021/jm00397a003 | Cathepsin D | 2 |
| 3276890 | 10.1021/jm00397a003 | Renin-1 | 1 |
Data from ChEMBL 36 via Core Engine