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

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