CHEMBL560383
SMILES | Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C(=O)NC2CCS(=O)(=O)C2)CCCC3)c(C)c1 |
InChIKey | YGEAEJNUKIWJMJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 490.2 |
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 | 7.24 | 7.24 | 7.24 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.49 | 6.49 | 6.49 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.24 | 7.24 | 7.24 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |