nepadutant [5644]
nepadutant
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(=O)N[C@H]1CC(=O)NC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
| InChIKey | NPSVXOVMLVOMDD-SXRVEDALSA-N |
| Sequence | NDWFXL |
Chemical Properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 14 |
| Rotatable bonds | 16 |
| Log P | -4.195 |
| Molecular weight (Da) | 964.4 |
| 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 |
nepadutant
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