CHEMBL1084429
SMILES | O=C(NC1CCCCC1)N1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2Cl)CC1 |
InChIKey | KTCTVGKANNGXFB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 513.2 |
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 | 6.56 | 6.56 | 6.56 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.92 | 8.92 | 8.92 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.56 | 6.56 | 6.56 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 7.24 | 7.24 | 7.24 | ChEMBL |