CHEMBL215180
SMILES | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 |
InChIKey | CNPFYHSXAKKLOF-SLGZMBILSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 662.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKd | 9.65 | 9.65 | 9.65 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKd | 6.69 | 6.69 | 6.69 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 9.5 | 9.51 | 9.52 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |