WIN55212-2
SMILES | O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2 |
InChIKey | HQVHOQAKMCMIIM-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 426.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 6PT0 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Rat | Cannabinoid | A | pKi | 8.11 | 8.11 | 8.12 | ChEMBL |
CB1 | CNR1 | Mouse | Cannabinoid | A | pKi | 7.7 | 8.22 | 8.8 | ChEMBL |
CB2 | CNR2 | Mouse | Cannabinoid | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 7.44 | 8.04 | 8.72 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 7.16 | 8.63 | 9.55 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 5.42 | 7.67 | 8.72 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 6.9 | 7.8 | 8.7 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 8.4 | 9.0 | 9.6 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Rat | Cannabinoid | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
CB2 | CNR2 | Rat | Cannabinoid | A | pEC50 | 8.82 | 8.82 | 8.82 | ChEMBL |
CB1 | CNR1 | Mouse | Cannabinoid | A | pEC50 | 5.84 | 6.27 | 6.69 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.2 | 5.45 | 5.7 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pIC50 | 6.37 | 6.37 | 6.37 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pEC50 | 6.84 | 7.42 | 8.0 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 7.05 | 8.01 | 9.41 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pIC50 | 7.8 | 8.37 | 8.96 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pIC50 | 6.7 | 7.46 | 8.7 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 5.75 | 7.27 | 8.14 | ChEMBL |