SB 414240
SMILES | O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C |
InChIKey | RTUNBOPBBCULLC-DEOSSOPVSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 512.4 |
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 | Human | Tachykinin | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
NK2 | NK2R | Human | Tachykinin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
NK3 | NK3R | Human | Tachykinin | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |