CHEMBL410727
SMILES | Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1c(C)ccc1C |
InChIKey | KZNXVRTZOQUIBX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 520.0 |
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 | 5.41 | 5.41 | 5.41 | 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 | 5.4 | 5.4 | 5.4 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Mouse | Cannabinoid | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |