CHEMBL3139244
SMILES | Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1 |
InChIKey | SPPGXADLGWQNLS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 448.1 |
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 | 7.43 | 7.43 | 7.43 | ChEMBL |
CB2 | CNR2 | Rat | Cannabinoid | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 7.69 | 7.69 | 7.69 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 4.88 | 4.88 | 4.88 | ChEMBL |