CHEMBL139600


SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1
InChIKey KQJHXQUMRFPEBH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 421.2

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
D4 DRD4 Human Dopamine A pKi 7.17 7.17 7.17 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.96 5.96 5.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.19 7.19 7.19 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.89 6.89 6.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.52 7.7 8.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database