CHEMBL286725


SMILES COc1cccc(C(=O)NCCN2CCN(c3ccccc3OC)CC2)c1
InChIKey LXCQKNOPMINDBU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 369.2

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
D2 DRD2 Rat Dopamine A pKi 6.85 6.85 6.85 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.89 8.93 8.96 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 10.22 10.22 10.22 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.33 6.33 6.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pIC50 9.0 9.0 9.0 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 10.05 10.05 10.05 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.16 6.16 6.16 ChEMBL