CHEMBL423487 [488439]
CHEMBL423487
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChIKey | JUSIFRCPTQSXJB-XSXWSVAESA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 13 |
| Log P | 1.318 |
| Molecular weight (Da) | 504.3 |
Database connections
| Model (AF2) | NTS1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL423487
Drug properties
| Molecular type | Protein |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Model (AF2) | NTS1 |