Secoverine
SMILES | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC |
InChIKey | WAVYHSURRZBQKO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 345.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.11 | 8.11 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.23 | 8.54 | 8.85 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.86 | 8.86 | 8.86 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 9.28 | 9.29 | 9.31 | PDSP Ki database |
M4 | ACM4 | Chicken | Acetylcholine (muscarinic) | A | pKi | 9.44 | 9.44 | 9.44 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.28 | 8.28 | 8.28 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |