TERCONAZOLE
| SMILES | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
| InChIKey | BLSQLHNBWJLIBQ-OZXSUGGESA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 531.2 |
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 |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 4.39 | 4.39 | 4.39 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.15 | 5.15 | 5.15 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
| 5-HT2C | 5HT2C | 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 |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.36 | 8.36 | 8.36 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 4.05 | 4.05 | 4.05 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 4.84 | 4.84 | 4.84 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 4.83 | 4.83 | 4.83 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 4.88 | 4.88 | 4.88 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 4.84 | 4.84 | 4.84 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.56 | 5.56 | 5.56 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.86 | 4.86 | 4.86 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.84 | 4.84 | 4.84 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 4.59 | 4.59 | 4.59 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.89 | 4.89 | 4.89 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.16 | 5.16 | 5.16 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.33 | 5.33 | 5.33 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.31 | 8.31 | 8.31 | Drug Central |