CHEMBL4205887
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(c2)CC=CCCCCCC[C@](C)(N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChIKey | FCGIKWSCRARHTA-JKRYBRSWSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 8 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 825.5 |
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 |
| NTS1 | NTR1 | Human | Neurotensin | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
| NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 7.27 | 7.46 | 7.57 | ChEMBL |