McN-A-343
| SMILES | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] |
| InChIKey | CXFZFEJJLNLOTA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 316.1 |
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 |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.8 | 5.0 | 5.2 | Guide to Pharmacology |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 4.7 | 5.35 | 6.0 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.6 | 6.15 | 6.7 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.04 | 5.04 | 5.04 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.09 | 8.09 | 8.09 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.15 | 5.3 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 4.9 | 4.9 | 4.9 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 4.47 | 4.47 | 4.47 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pIC50 | 6.02 | 6.19 | 6.45 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.89 | 4.89 | 4.89 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.14 | 5.27 | 5.4 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pEC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.5 | 5.5 | 5.5 | ChEMBL |