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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

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

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 8.3 8.75 9.2 Guide to Pharmacology
CB1 CNR1 Human Cannabinoid A pKd 8.5 8.95 9.4 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 8.6 8.9 9.2 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKd 8.1 8.9 9.7 Guide to Pharmacology
CB1 CNR1 Mouse Cannabinoid A pKi 8.82 9.02 9.21 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 8.11 8.8 9.24 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.47 8.83 9.82 ChEMBL
CB2 CNR2 Human Cannabinoid A pKd 9.23 9.23 9.23 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 7.89 8.9 9.57 ChEMBL
CB1 CNR1 Human Cannabinoid A pKd 9.3 9.3 9.3 ChEMBL
CB2 CNR2 Mouse Cannabinoid A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 8.3 8.3 8.3 Guide to Pharmacology
CB2 CNR2 Rat Cannabinoid A pEC50 9.47 9.47 9.47 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pEC50 7.38 7.38 7.38 ChEMBL
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 5.79 5.79 5.79 ChEMBL
CB1 CNR1 Rat Cannabinoid A pEC50 7.0 8.06 9.8 ChEMBL
CB1 CNR1 Rat Cannabinoid A pIC50 8.4 8.4 8.4 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 6.25 8.15 9.46 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 8.08 8.79 9.09 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 7.56 8.87 9.89 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 6.8 8.31 9.59 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pIC50 5.22 5.22 5.22 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 5.22 5.22 5.22 ChEMBL