lofexidine
| SMILES | CC(C1=NCCN1)Oc1c(Cl)cccc1Cl |
| InChIKey | KSMAGQUYOIHWFS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 258.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.36 | 8.36 | 8.36 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.16 | 7.16 | 7.16 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pEC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 8.86 | 8.86 | 8.86 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 8.2 | 8.2 | 8.2 | ChEMBL |