CHEMBL112297
SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 |
InChIKey | LACTUOLELFMBLS-LHEWISCISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 34 |
Molecular weight (Da) | 700.5 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 4.65 | 6.79 | 9.64 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.75 | 8.75 | 8.75 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.15 | 8.52 | 10.89 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 10.52 | 10.52 | 10.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |