APD668
SMILES | CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1c(cc(cc1)S(=O)(=O)C)F |
InChIKey | XTRUQJBVQBUKSQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 477.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7XZ6 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |