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 |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 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 |
| CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 7.94 | 8.68 | 9.51 | 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 |
| CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.9 | 8.3 | 8.7 | Guide to Pharmacology |
| 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 | Rat | Cannabinoid | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| κ | OPRK | Rat | Opioid | A | pKi | 7.24 | 7.24 | 7.24 | PDSP Ki database |
| 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 |
| 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 |
| GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| CB1 | CNR1 | Rat | Cannabinoid | A | pIC50 | 5.41 | 8.12 | 8.72 | ChEMBL |
| CB1 | CNR1 | Rat | Cannabinoid | A | pEC50 | 4.25 | 7.01 | 9.77 | 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 | pEC50 | 6.23 | 7.93 | 9.96 | ChEMBL |
| CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 6.8 | 8.04 | 8.87 | 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 | 5.26 | 5.9 | 6.55 | Guide to Pharmacology |
| GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pEC50 | 8.24 | 8.24 | 8.24 | Drug Central |