CHEMBL259255
SMILES | Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C |
InChIKey | DYPCUHGWIDYYDK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 445.1 |
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 | 7.54 | 7.54 | 7.54 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.54 | 7.54 | 7.54 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 7.43 | 7.43 | 7.43 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |