RX821002


SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
InChIKey HQGWKNGAKBPTBX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 234.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations α2A α2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKi 8.1 8.65 9.2 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKd 8.3 8.9 9.5 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 7.5 7.95 8.4 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKd 8.0 8.05 8.1 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 8.1 8.4 8.7 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKd 8.2 8.7 9.2 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 8.79 8.79 8.79 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 9.1 9.1 9.1 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.72 9.08 9.44 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 9.0 9.17 9.44 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 8.42 8.61 8.79 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 8.75 8.93 9.1 PDSP Ki database
α2A ADA2A Mouse Adrenoceptors A pKi 9.21 9.21 9.21 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database