CHEMBL140406


SMILES COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccn2)CC1
InChIKey MEJDASWPPCVZOR-UFWORHAWSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 363.2

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
D2 DRD2 Rat Dopamine A pKi 6.9 6.9 6.9 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.51 9.51 9.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.51 9.51 9.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 6.82 6.82 6.82 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 9.46 9.46 9.46 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.47 7.0 8.53 ChEMBL