DIETHYLSTILBESTROL
| SMILES | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 |
| InChIKey | RGLYKWWBQGJZGM-ISLYRVAYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 268.1 |
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 |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 4.98 | 4.98 | 4.98 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.28 | 5.28 | 5.28 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.22 | 5.22 | 5.22 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 4.58 | 4.58 | 4.58 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.35 | 5.35 | 5.35 | ChEMBL |
| 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 |
| CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.34 | 8.34 | 8.34 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| δ | OPRD | Human | Opioid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| A1 | AA1R | Human | Adenosine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| A2A | AA2AR | Human | Adenosine | A | pKi | 8.28 | 8.28 | 8.28 | 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 |
| CysLT1 | CLTR1 | Human | Leukotriene | A | pIC50 | 4.75 | 4.75 | 4.75 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 4.93 | 4.93 | 4.93 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.02 | 5.02 | 5.02 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 4.71 | 4.71 | 4.71 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 4.82 | 4.82 | 4.82 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 4.97 | 4.97 | 4.97 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 4.59 | 4.59 | 4.59 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 4.85 | 4.85 | 4.85 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.73 | 4.73 | 4.73 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.11 | 5.11 | 5.11 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 4.82 | 4.82 | 4.82 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 4.89 | 4.89 | 4.89 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 4.29 | 4.29 | 4.29 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.06 | 5.06 | 5.06 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.04 | 5.04 | 5.04 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.88 | 4.88 | 4.88 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.33 | 8.33 | 8.33 | Drug Central |