CHEMBL2205836
SMILES | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 |
InChIKey | PSBBAGWMKGXQRW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 309.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.27 | 6.27 | 6.27 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |