DOXANTHRINE


SMILES Oc1cc2c(cc1O)C1c3ccccc3CNC1CO2
InChIKey QDUNOUQOKOYLCH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 0
Molecular weight (Da) 269.1

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
D1 DRD1 Pig Dopamine A pKi 7.66 7.66 7.66 ChEMBL
D5 DRD5 Human Dopamine A pKi 8.15 8.15 8.15 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 8.0 8.0 8.0 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.05 7.05 7.05 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
D1 DRD1 Human Dopamine A pKi 7.01 7.01 7.01 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.41 6.41 6.41 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.43 5.57 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pEC50 6.96 6.96 6.96 ChEMBL
D1 DRD1 Human Dopamine A pEC50 7.5 7.5 7.5 ChEMBL