CHEMBL1087721
SMILES | O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CO |
InChIKey | PHWDIDWKGGEYRL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 478.1 |
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 |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKd | 8.4 | 8.4 | 8.4 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 7.47 | 7.47 | 7.47 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 5.12 | 5.12 | 5.12 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 5.12 | 5.12 | 5.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |