CHEMBL376700
SMILES | O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2 |
InChIKey | NCXBPZJQQSNIRA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 488.1 |
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 |
CB1 | CNR1 | Mouse | Cannabinoid | A | pKi | 8.09 | 9.64 | 12.46 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.07 | 7.42 | 7.7 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.9 | 8.84 | 12.46 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.74 | 10.23 | 12.46 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.68 | 7.69 | 7.7 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |