CANADINE


SMILES COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4
InChIKey VZTUIEROBZXUFA-INIZCTEOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 339.1

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
D5 DRD5 Human Dopamine A pKi 7.21 7.21 7.21 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.31 6.31 6.31 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.18 7.24 7.31 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.36 6.36 6.36 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.92 7.01 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pIC50 5.27 5.27 5.27 ChEMBL