CHEMBL571730
SMILES | O=S(=O)(/N=C(\NCCCCNc1c2c(nc3ccccc13)CCCC2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1 |
InChIKey | DFQGASIMGBFSOR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 724.2 |
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 |
CB1 | CNR1 | Human | Cannabinoid | A | pKd | 8.1 | 8.1 | 8.1 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.38 | 7.38 | 7.38 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |