compound 20o [PMID: 22984835]
SMILES | CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1 |
InChIKey | QCKRRHRHLONWIP-SANMLTNESA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 637.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NK1 | NK1R | Human | Tachykinin | A | pIC50 | 6.07 | 6.07 | 6.07 | ChEMBL |