CHEMBL1627


SMILES CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIKey ZMOPTLXEYOVARP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 462.2

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
α2B ADA2B Human Adrenoceptors A pKi 8.15 8.15 8.15 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.62 8.62 8.62 ChEMBL
H2 HRH2 Human Histamine A pKi 8.77 8.77 8.77 ChEMBL
H1 HRH1 Human Histamine A pKi 8.38 8.38 8.38 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.96 8.96 8.96 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.0 8.0 8.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
H3 HRH3 Human Histamine A pKi 8.03 8.03 8.03 ChEMBL
μ OPRM Human Opioid A pKi 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database