CHEMBL2205811
SMILES | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 |
InChIKey | ZKOQRCXMSDAJIR-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 |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |