raloxifene
| SMILES | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O |
| InChIKey | GZUITABIAKMVPG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 473.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.71 | 5.71 | 5.71 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.65 | 6.91 | 7.16 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| A2A | AA2AR | Human | Adenosine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| δ | OPRD | Human | Opioid | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| A2A | AA2AR | Human | Adenosine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.78 | 5.78 | 5.78 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.45 | 6.45 | 6.45 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.18 | 5.18 | 5.18 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.79 | 5.79 | 5.79 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |