CHEMBL2368392
SMILES | O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCOCCOCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 |
InChIKey | DIZUUDTUHKHLCD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 2 |
Rotatable bonds | 27 |
Molecular weight (Da) | 972.4 |
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 |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 8.39 | 8.39 | 8.39 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |