CP55940


SMILES CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C
InChIKey YNZFFALZMRAPHQ-SYYKKAFVSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 376.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7FEE 8GUR 7V3Z 7WV9 6KQI
Ligand site mutations CB2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.3 8.15 9.0 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 8.3 8.7 9.1 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 8.04 8.04 8.04 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.05 8.05 8.05 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 6.8 7.05 7.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database