(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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.77 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.49 5.5 5.5 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.79 5.79 5.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.43 6.43 6.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX2 MRGX2 Human Orphan A pEC50 6.12 6.12 6.12 Guide to Pharmacology
MRGPRX2 MRGX2 Human Orphan A pEC50 6.0 6.07 6.13 ChEMBL