SULCONAZOLE
| SMILES | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 |
| InChIKey | AFNXATANNDIXLG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 396.0 |
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 | 5.78 | 5.78 | 5.78 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | 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 | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | 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 |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.31 | 5.31 | 5.31 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.39 | 5.39 | 5.39 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.51 | 5.51 | 5.51 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.45 | 5.45 | 5.45 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |