cisapride
| SMILES | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N |
| InChIKey | DCSUBABJRXZOMT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 465.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | 5-HT4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.9 | 7.4 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.4 | 8.0 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.9 | 7.15 | 7.54 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.35 | 7.67 | 7.84 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.31 | 7.41 | 7.52 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.16 | 7.28 | 7.4 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.58 | 8.96 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.17 | 8.0 | PDSP Ki database |
| 5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.29 | 7.34 | 7.49 | PDSP Ki database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.08 | 7.54 | PDSP Ki database |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.35 | 7.5 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.21 | 7.21 | 7.21 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.99 | 7.99 | 7.99 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.29 | 6.29 | 6.29 | PDSP Ki database |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 6.87 | 6.87 | 6.87 | PDSP Ki database |
| 5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pEC50 | 7.26 | 7.26 | 7.26 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 9.44 | 9.44 | 9.44 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 6.56 | 6.56 | 6.56 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.94 | 5.94 | 5.94 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.11 | 6.11 | 6.11 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.17 | 6.29 | 6.41 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.84 | 6.84 | 6.84 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.41 | 8.41 | 8.41 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.33 | 6.48 | 6.64 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pEC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |