CETYLPYRIDINIUM
| SMILES | CCCCCCCCCCCCCCCC[n+]1ccccc1 |
| InChIKey | NEUSVAOJNUQRTM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 0 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 304.3 |
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 |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 5.31 | 5.31 | 5.31 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.06 | 5.06 | 5.06 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.83 | 5.83 | 5.83 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.47 | 7.47 | 7.47 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.94 | 6.94 | 6.94 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 5.29 | 5.29 | 5.29 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.48 | 7.48 | 7.48 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |