4-BENZENESULFINYLMETHYL-1-[2-(5-FLUORO-1H-INDOL-3-YL)-ETHYL]-PIPERIDIN-4-OL (STRUCTURAL MIX)
| SMILES | [O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 |
| InChIKey | VWIWOPFCNLLGBQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 400.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK2 | NK2R | Rat | Tachykinin | A | pKi | 8.1 | 8.7 | 9.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |