Botiacrine
SMILES | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C |
InChIKey | QXRUCDDVUMKOPI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 340.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.97 | 7.97 | 7.97 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.52 | 8.52 | 8.52 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.78 | 7.78 | 7.78 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.29 | 8.29 | 8.29 | PDSP Ki database |
M4 | ACM4 | Chicken | Acetylcholine (muscarinic) | A | pKi | 8.37 | 8.37 | 8.37 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |