CHEMBL3343995
SMILES | COc1ccccc1C(=O)/C=C1\C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |
InChIKey | XBBNZGWNCBWFDK-LKUDQCMESA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 423.2 |
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 | 6.14 | 6.56 | 6.99 | ChEMBL |
MRGPRX1 | MRGX1 | Human | A orphans | A | pIC50 | 6.1 | 6.63 | 7.3 | ChEMBL |