CHEMBL2181540
SMILES | CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 |
InChIKey | XBZIGRIVQPZHKB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 394.2 |
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 | 6.68 | 6.68 | 6.68 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.61 | 6.61 | 6.61 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR18 | GPR18 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 7.27 | 7.27 | 7.27 | ChEMBL |