[3H]ketanserin
| SMILES | Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2 |
| InChIKey | FPCCSQOGAWCVBH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 395.2 |
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 |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKd | 8.6 | 9.15 | 9.7 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKd | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKd | 8.88 | 8.88 | 8.88 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.85 | 8.85 | 8.85 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.89 | 5.9 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.31 | 6.47 | 6.66 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.71 | 5.72 | 5.74 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.18 | 7.36 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 6.1 | 6.1 | 6.1 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKd | 8.57 | 8.62 | 8.66 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.97 | 9.14 | 9.64 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 6.57 | 6.58 | 6.58 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 8.57 | 8.57 | 8.57 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.08 | 8.38 | 9.46 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.98 | 8.98 | 8.98 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.8 | 5.8 | 5.8 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |