CHEMBL2205823
SMILES | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 |
InChIKey | WWXCWTRLUXMAHX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 295.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.27 | 6.27 | 6.27 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |