2-methoxy-α,β-didehydro-agomelatine
SMILES | COc1ccc2c(c1/C=C/NC(=O)C)cc(cc2)OC |
InChIKey | HMYFXYOFPXZULT-CMDGGOBGSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 271.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |