CHEMBL346389


SMILES O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1
InChIKey UFFHNEZNXKJHFB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 357.1

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
α2B ADA2B Rat Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.1 6.1 6.1 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.1 6.1 6.1 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.02 6.02 6.02 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.37 8.37 8.37 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.17 6.17 6.17 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.78 5.78 5.78 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Rat Adrenoceptors A pIC50 6.2 6.2 6.2 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.85 5.85 5.85 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.3 6.3 6.3 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.87 5.87 5.87 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.96 5.96 5.96 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.85 5.85 5.85 ChEMBL