CHEMBL471980
SMILES | CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CCC(C)C)cc1 |
InChIKey | RLLSCGRLMPJHDQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 421.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.43 | 7.74 | 8.35 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.17 | 5.19 | 5.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 6.85 | 7.69 | 8.54 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 5.49 | 5.49 | 5.49 | ChEMBL |