ENCLOMIPHENE
| SMILES | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 |
| InChIKey | GKIRPKYJQBWNGO-OCEACIFDSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 405.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.83 | 5.83 | 5.83 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.03 | 6.03 | 6.03 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.78 | 5.78 | 5.78 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.79 | 5.79 | 5.79 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.27 | 5.27 | 5.27 | ChEMBL |