doxepin
| SMILES | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C |
| InChIKey | ODQWQRRAPPTVAG-GZTJUZNOSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 279.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.56 | 6.56 | 6.56 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.59 | 7.59 | 7.59 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 6.87 | 6.87 | 6.87 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.44 | 6.44 | 6.44 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.5 | 9.75 | 10.0 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKd | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.75 | 9.75 | 9.75 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 9.31 | 9.66 | 10.05 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 9.15 | 9.15 | 9.15 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 9.3 | 9.55 | 9.8 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 6.98 | 6.98 | 6.98 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.42 | 7.42 | 7.42 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.8 | 6.8 | 6.8 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.09 | 7.09 | 7.09 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.12 | 7.12 | 7.12 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
Showing 1 to 32 of 32 entries
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
GTP
| Uniprot
| Species
| Family
| Class
| Type
| Min | Avg | Max | Database
|
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pEC50 | 8.17 | 8.17 | 8.17 | Drug Central |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 6.05 | 6.45 | 6.85 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 8.7 | 8.7 | 8.7 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.96 | 7.96 | 7.96 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 8.14 | 8.14 | 8.14 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
Showing 1 to 11 of 11 entries