rimonabant


SMILES Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1
InChIKey JZCPYUJPEARBJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 462.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 7.9 8.3 8.7 Guide to Pharmacology
CB1 CNR1 Mouse Cannabinoid A pKi 8.3 8.63 8.82 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pKd 6.72 6.72 6.72 ChEMBL
CB2 CNR2 Mouse Cannabinoid A pKi 5.79 6.12 6.43 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 5.11 6.17 8.96 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 6.84 8.26 9.72 ChEMBL
CB1 CNR1 Human Cannabinoid A pKd 8.59 8.62 8.74 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 7.33 8.42 9.72 PDSP Ki database
CB2 CNR2 Human Cannabinoid A pKi 5.7 6.08 6.9 PDSP Ki database
κ OPRK Rat Opioid A pKi 7.24 7.24 7.24 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.01 8.01 8.01 Drug Central
CB2 CNR2 Human Cannabinoid A pKi 8.05 8.05 8.05 Drug Central
CB2 CNR2 Mouse Cannabinoid A pKi 8.19 8.19 8.19 Drug Central
CB1 CNR1 Mouse Cannabinoid A pKi 8.05 8.05 8.05 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 5.26 5.9 6.55 Guide to Pharmacology
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pIC50 5.0 5.0 5.0 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 5.0 5.0 5.0 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pEC50 5.05 5.05 5.05 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pIC50 7.6 7.6 7.6 ChEMBL
CB2 CNR2 Mouse Cannabinoid A pEC50 7.82 7.82 7.82 ChEMBL
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 5.7 5.7 5.7 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 5.01 5.88 8.72 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 4.51 4.51 4.51 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 6.8 8.04 8.87 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 6.23 7.93 9.96 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pIC50 8.3 8.3 8.3 Drug Central
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 8.24 8.24 8.24 Drug Central