R-954 [6671]
R-954
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN)NC(C)=O)C(=O)O |
| InChIKey | JDPPVMXSBUBLMX-IRXBPQMASA-N |
| Sequence | None |
| HELM | PEPTIDE1{[ac].[Orn].R.[*C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1* |$_R2;;;;;;;;;;;;_R1$|].P.G.[*C(=O)[C@](C)(Cc1ccccc1)N* |$_R2;;;;;;;;;;;;;_R1$|].S.[*C(=O)[C@@H](Cc1ccc2ccccc2c1)N* |$_R2;;;;;;;;;;;;;;;;_R1$|].I}$$$$ |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 12 |
| Rotatable bonds | 30 |
| Log P | 0.126 |
| Molecular weight (Da) | 1193.7 |
| Stereochemistry info | partial |
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 |
R-954
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