dexmedetomidine
| SMILES | Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C |
| InChIKey | CUHVIMMYOGQXCV-NSHDSACASA-N |
Chemical properties
| Hydrogen bond acceptors | 1 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 200.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.6 | 8.6 | 9.6 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.5 | 8.6 | 9.7 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.0 | 8.15 | 9.3 | Guide to Pharmacology |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 8.3 | 9.98 | 10.82 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.97 | 7.97 | 7.97 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 7.97 | 7.97 | 7.97 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 10.82 | 10.82 | 10.82 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.533333333333333 | 8.53 | 8.53 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 9.55 | 9.55 | 9.55 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 10.9 | 10.9 | 10.9 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 9.32 | 9.32 | 9.32 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.67 | 8.86 | 9.1 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.05 | 8.05 | 8.05 | Drug Central |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |