CHEMBL132794
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChIKey | OVWABJJHOAGNSE-FKBNJGARSA-O |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 10 |
| Rotatable bonds | 25 |
| Molecular weight (Da) | 845.6 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NTS2 | NTR2 | Human | Neurotensin | A | pIC50 | 8.51 | 8.51 | 8.51 | ChEMBL |
| NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 9.29 | 9.29 | 9.29 | ChEMBL |