compound 26 [PMID: 16190743]
SMILES | CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C |
InChIKey | SHQNRSGKLNMHOS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 391.2 |
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 |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.8 | 6.6 | Guide to Pharmacology |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
M2 | ACM2 | Mouse | Acetylcholine (muscarinic) | A | pKi | 5.82 | 7.29 | 8.77 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.8 | 7.94 | 9.3 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.71 | 6.81 | 6.92 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.8 | 7.81 | 8.82 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 6.12 | 7.77 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.77 | 8.36 | 8.95 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.63 | 6.63 | 6.63 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.32 | 6.43 | 6.54 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.31 | 6.31 | 6.31 | PDSP Ki database |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.96 | 8.96 | 8.96 | PDSP Ki database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Mouse | Acetylcholine (muscarinic) | A | pEC50 | 6.57 | 6.57 | 6.57 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 5.7 | 6.23 | 7.08 | ChEMBL |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.44 | 6.8 | 7.0 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pEC50 | 7.26 | 7.26 | 7.26 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pEC50 | 7.48 | 7.79 | 8.05 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.77 | 4.77 | 4.77 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pEC50 | 7.72 | 7.72 | 7.72 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 6.41 | 7.61 | 8.8 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.57 | 6.18 | 8.64 | ChEMBL |