ONC212
SMILES | O=c1c2CN(CCc2n2c(=NCC2)n1Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1 |
InChIKey | DFULPGUTXZTYKA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 440.2 |
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 | 6.86 | 6.86 | 6.86 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |