FK 888
SMILES | CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O |
InChIKey | BFNKQTIJVFGCKQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 588.3 |
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 |
NK1 | NK1R | Human | Tachykinin | A | pKi | 8.83 | 8.83 | 8.83 | PDSP Ki database |
NK2 | NK2R | Human | Tachykinin | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
NK3 | NK3R | Guinea pig | Tachykinin | A | pKi | 5.25 | 5.25 | 5.25 | PDSP Ki database |
NK1 | NK1R | Guinea pig | Tachykinin | A | pKi | 8.5 | 8.5 | 8.5 | PDSP Ki database |
NK1 | NK1R | Rat | Tachykinin | A | pKi | 5.68 | 5.68 | 5.68 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |