CHEMBL3730500
SMILES | OC(/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 |
InChIKey | IICYPFHJKGRIGE-NCELDCMTSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 463.2 |
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 | 5.17 | 5.92 | 6.68 | ChEMBL |
MRGPRX1 | MRGX1 | Human | A orphans | A | pIC50 | 7.05 | 7.05 | 7.05 | ChEMBL |