OXICONAZOLE
| SMILES | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 |
| InChIKey | QRJJEGAJXVEBNE-HKOYGPOVSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 427.0 |
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 |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.45 | 5.45 | 5.45 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| δ | OPRD | Human | Opioid | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.39 | 5.39 | 5.39 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.33 | 5.33 | 5.33 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.28 | 8.28 | 8.28 | Drug Central |