quetiapine
| SMILES | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 |
| InChIKey | URKOMYMAXPYINW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 383.2 |
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 | 6.5 | 6.55 | 6.6 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.85 | 7.0 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.0 | 8.35 | 8.7 | Guide to Pharmacology |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.87 | 7.87 | 7.87 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.0 | 6.67 | 7.34 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.0 | 7.11 | 7.21 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.67 | 5.67 | 5.67 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.6 | 7.2 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.68 | 7.97 | 8.34 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.52 | 6.9 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 5.66 | 5.75 | 5.8 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.09 | 6.37 | 6.64 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.0 | 7.35 | 7.7 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.37 | 6.07 | 6.67 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.85 | 7.07 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.42 | 5.71 | 5.85 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.0 | 6.57 | 7.25 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.57 | 7.1 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 6.36 | 6.6 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.9 | 7.51 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.0 | 6.64 | 7.2 | ChEMBL |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.61 | 7.61 | 7.61 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.06 | 7.06 | 7.06 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.37 | 6.37 | 6.37 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.67 | 6.67 | 6.67 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.93 | 6.93 | 6.93 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.13 | 8.13 | 8.13 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |