CHEMBL2019081
SMILES | O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 |
InChIKey | JCBKHLWPNWGXIF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 442.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 8.17 | 8.17 | 8.17 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.74 | 6.74 | 6.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |