CHEMBL2205812
SMILES | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 |
InChIKey | TWMXGXSGGIIQDM-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 |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |