WIN55212-2


SMILES O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2
InChIKey HQVHOQAKMCMIIM-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 426.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6PT0

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 6.9 7.8 8.7 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 8.4 9.0 9.6 Guide to Pharmacology
CB2 CNR2 Rat Cannabinoid A pKi 8.11 8.11 8.12 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pKi 7.7 8.22 8.8 ChEMBL
CB2 CNR2 Mouse Cannabinoid A pKi 8.22 8.22 8.22 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 7.44 8.04 8.72 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.16 8.63 9.55 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.42 7.67 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Rat Cannabinoid A pIC50 5.66 5.66 5.66 ChEMBL
CB2 CNR2 Rat Cannabinoid A pEC50 8.82 8.82 8.82 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pEC50 5.84 6.27 6.69 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.2 5.45 5.7 ChEMBL
CB1 CNR1 Rat Cannabinoid A pIC50 6.37 6.37 6.37 ChEMBL
CB1 CNR1 Rat Cannabinoid A pEC50 6.84 7.42 8.0 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 7.05 8.01 9.41 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 7.8 8.37 8.96 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 6.7 7.46 8.7 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 5.75 7.27 8.14 ChEMBL