CHEMBL1269770
SMILES | Cc1c(C(=O)NCCCCCCCN(C)CCCCCCCNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 |
InChIKey | MVOOASXFNPWAHT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 22 |
Molecular weight (Da) | 981.2 |
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 | 6.17 | 6.17 | 6.17 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.56 | 7.66 | 7.76 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKd | 8.37 | 8.37 | 8.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Rat | Cannabinoid | A | pEC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 5.65 | 5.65 | 5.65 | ChEMBL |