CHEMBL411112
SMILES | N#Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccccc2)c1-n1cccc1 |
InChIKey | QILUOVIHJROTFV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 435.1 |
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 | 5.41 | 5.41 | 5.41 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.55 | 6.55 | 6.55 | 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 |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |