[3H]clonidine
| SMILES | ClC1=CC=CC(=C1NC2=NCCN2)Cl |
| InChIKey | GJSURZIOUXUGAL-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 229.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKd | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKd | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.8 | 7.65 | 8.08 | ChEMBL |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 6.07 | 8.3 | 9.41 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 4.2 | 4.3 | 4.4 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.13 | 5.36 | 5.58 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 6.59 | 6.59 | 6.59 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.59 | 5.84 | 6.22 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.03 | 7.67 | 8.21 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.37 | 7.25 | 8.03 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.01 | 6.15 | 6.29 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.07 | 7.57 | 8.42 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 7.05 | 7.05 | 7.05 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.6 | 4.65 | 4.7 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 5.93 | 6.65 | 7.25 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.08 | 7.08 | 7.08 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.04 | 6.95 | 7.26 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.27 | 5.27 | 5.27 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.52 | 8.17 | 9.54 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |