(R)-ZINC-3573


SMILES CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C
InChIKey XKBSPAZCFAIBJL-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 307.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7S8N 7S8O

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX2 MRGX2 Human A orphans A pEC50 6.12 6.12 6.12 Guide to Pharmacology
MRGPRX2 MRGX2 Human A orphans A pEC50 6.0 6.06 6.13 ChEMBL