TAK-448 [8159]
TAK-448
| SMILES | CN=C(N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
| InChIKey | MWXWMWSUUYXMRA-GRKBUMBKSA-N |
| Sequence | None |
Chemical Properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 17 |
| Rotatable bonds | 30 |
| Log P | -3.407 |
| Molecular weight (Da) | 1224.6 |
| Stereochemistry info | partial |
Database connections
| Structure pdb | 8ZJE |
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 |
TAK-448
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Structure pdb | 8ZJE |