TAK 044 [8151]
TAK 044
| SMILES | CC(C)C[C@@H]1NC(=O)[C@@H](c2cccs2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N2CCC(c3ccccc3)CC2)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O |
| InChIKey | UOZMDLYHZJQAOO-YHIUFLQMSA-N |
| Sequence | DDDXLW |
| HELM | PEPTIDE1{[dD].[*C(=O)[C@H](CC(=O)N1CCC(CC1)c2ccccc2)N* |$_R2;;;;;;;;;;;;;;;;;;;;_R1$|].D.[*C(=O)[C@@H](c1cccs1)N* |$_R2;;;;;;;;;;_R1$|].L.[dW]}$PEPTIDE1,PEPTIDE1,6:R2-1:R1$$$ |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 9 |
| Rotatable bonds | 12 |
| Log P | 1.859 |
| Molecular weight (Da) | 926.4 |
| Stereochemistry info | unspecified |
Database connections
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 044
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0