2-hexynyl-NECA


SMILES CCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC
InChIKey FDEACFAXFCKCHZ-MOROJQBDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 388.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pKi 8.1 8.1 8.1 Guide to Pharmacology
CB1 CNR1 Rat Cannabinoid A pKi 6.55 6.55 6.55 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.3 5.85 6.55 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.66 7.98 8.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pEC50 5.98 5.98 5.98 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 6.55 6.55 6.55 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 7.79 7.79 7.79 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 8.47 8.47 8.47 ChEMBL
CB2 CNR2 Rat Cannabinoid A pEC50 6.5 6.58 6.67 ChEMBL