CHEMBL4595989
| SMILES | C#CCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C |
| InChIKey | RUQZQNFGZLJLET-JVYXSLHOSA-N |
Chemical properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 14 |
| Rotatable bonds | 27 |
| Molecular weight (Da) | 953.6 |
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 |
| NTS1 | NTR1 | Human | Neurotensin | A | pKi | 8.02 | 8.02 | 8.03 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |