CHEMBL3727861
SMILES | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 |
InChIKey | WXLTVTMEQSZESS-NCELDCMTSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 413.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MRGPRX1 | MRGX1 | Rat | A orphans | A | pIC50 | 5.32 | 5.9 | 6.48 | ChEMBL |
MRGPRX1 | MRGX1 | Human | A orphans | A | pIC50 | 6.2 | 6.49 | 6.78 | ChEMBL |