sertindole
| SMILES | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O |
| InChIKey | GZKLJWGUPQBVJQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 440.2 |
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-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.5 | 6.6 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.2 | 9.3 | 9.4 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.1 | 9.2 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.04 | 8.48 | 8.92 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.0 | 8.4 | 8.8 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.8 | 8.43 | 9.07 | Guide to Pharmacology |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.43 | 9.43 | 9.43 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.24 | 7.76 | 9.29 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 9.35 | 9.35 | 9.35 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.68 | 7.82 | 7.96 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.89 | 9.2 | 9.7 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.09 | 8.34 | 8.59 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.07 | 9.14 | 9.22 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.13 | 8.94 | 9.35 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.22 | 9.45 | 9.85 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.04 | 8.49 | 9.21 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.55 | 8.42 | 9.07 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 9.07 | 9.34 | 9.7 | PDSP Ki database |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.28 | 6.28 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 8.89 | 8.89 | 8.89 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.98 | 6.43 | 6.63 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.76 | 7.22 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.02 | 7.51 | 7.8 | PDSP Ki database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 8.09 | 8.49 | 8.8 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 6.68 | 7.3 | 7.92 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.13 | 9.06 | 9.42 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 4.93 | 5.36 | 6.37 | PDSP Ki database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.44 | 6.44 | 6.44 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.19 | 6.19 | 6.19 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.92 | 8.35 | 8.8 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.35 | 6.35 | 6.35 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.35 | 6.35 | 6.35 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.49 | 6.76 | 6.89 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.66 | 5.66 | 5.66 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.62 | 8.95 | 9.29 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 6.36 | 6.36 | 6.36 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.69 | 9.05 | PDSP Ki database |
| D4 | DRD4 | Rat | Dopamine | A | pKi | 8.0 | 8.0 | 8.0 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.57 | 5.57 | 5.57 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.74 | 8.74 | 8.74 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.39 | 8.64 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.54 | 7.55 | PDSP Ki database |
| TP | TA2R | Human | Prostanoid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| δ | OPRD | Mouse | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| μ | OPRM | Rat | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| PAF | PTAFR | Human | Platelet-activating factor | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.57 | 5.57 | 5.57 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
| α2A | ADA2A | 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 | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.47 | 8.47 | 8.47 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.39 | 8.39 | 8.39 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.07 | 8.07 | 8.07 | Drug Central |