CHEMBL4441888


SMILES COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1
InChIKey UJRXZWAABVTTPQ-HHHXNRCGSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 444.2

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
α1B ADA1B Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.05 7.05 7.05 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.01 5.01 5.01 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.45 6.45 6.45 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.54 5.54 5.54 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.66 5.66 5.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database