tamoxifen
| SMILES | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 |
| InChIKey | NKANXQFJJICGDU-QPLCGJKRSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 371.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| B2 | BKRB2 | Human | Bradykinin | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 4.76 | 4.76 | 4.76 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 4.53 | 4.53 | 4.53 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 4.86 | 4.86 | 4.86 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.91 | 5.95 | 5.98 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| 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 |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.03 | 5.03 | 5.03 | ChEMBL |
| B2 | BKRB2 | Human | Bradykinin | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
| MC3 | MC3R | Human | Melanocortin | A | pKi | 8.32 | 8.32 | 8.32 | Drug Central |
| MC4 | MC4R | Human | Melanocortin | A | pKi | 8.34 | 8.34 | 8.34 | Drug Central |
| MC5 | MC5R | Human | Melanocortin | A | pKi | 8.34 | 8.34 | 8.34 | Drug Central |
| δ | OPRD | Human | Opioid | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| δ | OPRD | Human | Opioid | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 5.2 | 5.2 | 5.2 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 5.15 | 5.15 | 5.15 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 5.07 | 5.07 | 5.07 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
| A2A | AA2AR | Human | Adenosine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| B2 | BKRB2 | Human | Bradykinin | A | pIC50 | 4.69 | 4.69 | 4.69 | ChEMBL |
| MC5 | MC5R | Human | Melanocortin | A | pIC50 | 4.58 | 4.58 | 4.58 | ChEMBL |
| MC3 | MC3R | Human | Melanocortin | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.11 | 5.11 | 5.11 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 4.95 | 4.95 | 4.95 | ChEMBL |
| MC4 | MC4R | Human | Melanocortin | A | pIC50 | 4.52 | 4.52 | 4.52 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.15 | 5.15 | 5.15 | ChEMBL |
| A1 | AA1R | Human | Adenosine | A | pIC50 | 4.62 | 4.62 | 4.62 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.45 | 5.45 | 5.45 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.76 | 4.76 | 4.76 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 5.11 | 5.11 | 5.11 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.86 | 4.86 | 4.86 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.97 | 5.97 | 5.97 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.03 | 5.03 | 5.03 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 4.88 | 4.88 | 4.88 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 4.81 | 4.81 | 4.81 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 4.75 | 4.75 | 4.75 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pIC50 | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.31 | 8.31 | 8.31 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 4.92 | 4.92 | 4.92 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.33 | 8.33 | 8.33 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |