CHEMBL1200171
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O |
| InChIKey | NWPZHWJQSGWXSJ-BJAKLJBYSA-O |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 9 |
| Rotatable bonds | 22 |
| Molecular weight (Da) | 816.5 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NTS2 | NTR2 | Rat | Neurotensin | A | pKd | 7.63 | 7.63 | 7.63 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NTS1 | NTR1 | Rat | Neurotensin | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
| NTS2 | NTR2 | Human | Neurotensin | A | pEC50 | 7.27 | 7.27 | 7.27 | ChEMBL |
| NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 7.97 | 7.97 | 7.97 | ChEMBL |