CHEMBL3290101
| SMILES | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)CCCCC2)nn1-c1cccc2ccccc12 |
| InChIKey | BTEJVDICTLPRLK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 499.2 |
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 | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
| NTS1 | NTR1 | Rat | Neurotensin | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NTS2 | NTR2 | Rat | Neurotensin | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |