CHEMBL3732603


SMILES O=C(Nc1cccc([N+](=O)[O-])c1)O[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
InChIKey GKPYSHUAQDVIOU-FXDYGKIASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 457.2

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
MRGPRX1 MRGX1 Rat A orphans A pIC50 5.2 5.54 5.89 ChEMBL
MRGPRX1 MRGX1 Human A orphans A pIC50 5.73 6.13 6.54 ChEMBL