ritanserin
| SMILES | Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F |
| InChIKey | JUQLTPCYUFPYKE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 477.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.35 | 7.57 | 7.8 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.03 | 7.63 | 8.52 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.72 | 8.93 | 9.15 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.35 | 9.35 | 9.35 | ChEMBL |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 6.5 | 7.38 | 7.8 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.48 | 7.65 | 7.82 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 9.36 | 11.0 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.7 | 9.4 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.41 | 6.24 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.92 | 7.92 | 7.92 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.53 | 5.53 | 5.53 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 6.6 | 6.6 | 6.6 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.54 | 6.56 | 6.58 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 6.29 | 7.14 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.850000000000001 | 8.85 | 8.85 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.95 | 9.2 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.61 | 8.84 | 9.6 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.9 | 9.6 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.54 | 7.8 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.2 | 7.4 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.35 | 7.35 | 7.35 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.1 | 7.4 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.03 | 6.03 | 6.03 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.08 | 7.54 | 8.0 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.62 | 7.62 | 7.62 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 6.5 | 7.15 | 7.8 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.96 | 8.7 | 9.7 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.72 | 5.91 | 6.26 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| 5-HT2B | 5HT2B | Mouse | 5-Hydroxytryptamine | A | pKi | 8.44 | 8.44 | 8.44 | PDSP Ki database |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.72 | 7.45 | 8.3 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.81 | 7.82 | ChEMBL |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.75 | 7.8 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 8.29 | 8.29 | 8.3 | PDSP Ki database |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.43 | 6.43 | 6.43 | PDSP Ki database |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 8.6 | 8.63 | 8.68 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.33 | 7.33 | 7.33 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 5.15 | 5.5 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.64 | 7.88 | 7.92 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.7 | 5.5 | 6.3 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.2 | 5.35 | 5.5 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.0 | 6.25 | 6.5 | Guide to Pharmacology |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |
| TAS2R20 | T2R20 | Human | Taste 2 | T | pEC50 | 5.22 | 5.22 | 5.22 | Guide to Pharmacology |