compound 47 [PMID: 35640059]
SMILES | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 |
InChIKey | WXDKVCQSVUOFSK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 425.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.05 | 6.05 | 6.05 | ChEMBL |