compound 25e [PMID: 25875054]
SMILES | CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C |
InChIKey | BSGIKRCNMBTGEB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 440.1 |
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 |
M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.33 | 6.41 | 6.48 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.11 | 8.24 | 8.37 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.36 | 8.46 | 8.57 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 7.95 | 8.02 | 8.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |