CHEMBL3084662
SMILES | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 |
InChIKey | LAOBIJDCKIAALB-ZHPFXUNLSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 321.2 |
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 |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 8.6 | 8.6 | 8.6 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.4 | 8.4 | 8.4 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 9.1 | 9.1 | 9.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |