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 |
| Endogenous/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 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.45 | 7.5 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.9 | 9.7 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKd | 8.6 | 9.15 | 9.7 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.1 | 6.4 | 6.7 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.15 | 7.5 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.7 | 4.7 | 4.7 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 6.2 | 6.5 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.6 | 8.8 | 9.0 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKd | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Mouse | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.65 | 6.7 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.85 | 8.85 | 8.85 | 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-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKd | 8.87 | 9.21 | 9.55 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.29 | 8.92 | 9.33 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.88 | 5.89 | 5.9 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.31 | 6.47 | 6.66 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.71 | 5.72 | 5.74 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.55 | 5.55 | 5.55 | 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 | 9.17 | 9.64 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.5 | 6.92 | 7.31 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.43 | 5.98 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.33 | 5.71 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.99 | 7.32 | 7.68 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.65 | 6.95 | PDSP Ki database |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.7 | 6.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.36 | 5.72 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.7 | 9.41 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.93 | 9.52 | PDSP Ki database |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 8.66 | 8.66 | 8.66 | PDSP Ki database |
| 5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 8.37 | 8.37 | 8.37 | PDSP Ki database |
| 5-HT2B | F6QI78 | Bovine | 5-Hydroxytryptamine | A | pKi | 8.62 | 8.62 | 8.62 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.33 | 6.53 | 6.72 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.55 | 5.55 | 5.55 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 5.12 | 6.27 | 6.7 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.49 | 6.3 | 6.66 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 7.06 | 7.77 | PDSP Ki database |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.46 | 5.5 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | PDSP Ki database |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.43 | 6.43 | 6.43 | PDSP Ki database |
| α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.65 | 6.65 | 6.65 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | PDSP Ki database |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 5.54 | 5.87 | 6.2 | PDSP Ki database |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.12 | 5.74 | 6.1 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.2 | 6.4 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 6.95 | 8.9 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.36 | 5.48 | 5.6 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 6.0 | 6.35 | 6.7 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.74 | 6.27 | 6.52 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
| 5-HT2B | 5HT2B | Mouse | 5-Hydroxytryptamine | A | pKi | 6.69 | 6.69 | 6.69 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.6 | 5.6 | 5.6 | PDSP Ki database |
| 5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D2 | DRD2 | Dog | Dopamine | A | pKi | 6.72 | 6.72 | 6.72 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.75 | 8.75 | 8.75 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 4.7 | 4.7 | 4.7 | PDSP Ki database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.33 | 8.33 | 8.33 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT1B | 5HT1B | Mouse | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Dog | 5-Hydroxytryptamine | A | pKi | 7.89 | 7.89 | 7.89 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKd | 8.88 | 8.88 | 8.88 | ChEMBL |
| 5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.2 | 5.3 | 5.4 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.47 | 8.47 | 8.47 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.54 | 6.54 | 6.54 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.75 | 5.75 | 5.75 | 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 | 8.33 | 9.46 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.98 | 8.98 | 8.98 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 8.07 | 8.07 | 8.07 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 8.28 | 8.28 | 8.28 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 6.57 | 6.58 | 6.58 | 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 |