ziprasidone
| SMILES | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 |
| InChIKey | MVWVFYHBGMAFLY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 412.1 |
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 | 7.9 | 8.4 | 8.9 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.8 | 9.16 | 9.51 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 8.46 | 9.01 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.55 | 8.55 | 8.55 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.4 | 7.6 | 7.8 | Guide to Pharmacology |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.27 | 8.3 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.32 | 8.32 | 8.32 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.29 | 7.4 | 8.28 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.3 | 7.41 | 7.5 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.12 | 7.29 | 7.7 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.48 | 7.13 | 8.02 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.89 | 8.57 | 9.26 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.29 | 5.29 | 5.29 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.43 | 8.39 | 8.8 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.0 | 8.12 | 8.2 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.77 | 9.46 | 10.1 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.9 | 8.54 | 9.1 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.38 | 9.38 | 9.38 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.07 | 8.07 | 8.07 | Drug Central |