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
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 6.8 7.4 8.0 Guide to Pharmacology
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 ChEMBL
α2A ADA2A Rat Adrenoceptors A pKi 7.52 7.52 7.52 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-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
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-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
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 6.4 6.9 7.4 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 Guide to Pharmacology
D1 DRD1 Rat Dopamine A pKi 5.77 5.77 5.77 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 pIC50 9.44 9.44 9.44 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 7.1 7.1 7.1 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
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
D1 DRD1 Human Dopamine A pIC50 5.77 5.77 5.77 ChEMBL