Compound Detail
CHEMBL1729
CISAPRIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1729 |
| Name | CISAPRIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DCSUBABJRXZOMT-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
45
Targets
136
Activities
4
Assay Types
10
PK Parameters
20
Publications
4
Known Names
1
Indications
Molecular Properties
465.9
MW (Da)
3.36
ALogP
6
HBA
2
HBD
86.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1993 |
| Availability | Withdrawn |
| Chirality | Racemic |
Indications
Digestive System Diseases
ATC Classification
A03FA02
cisapride
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 80 meas. best 9.44
Ki 46 meas. best 8.96
EC50 6 meas. best 7.26
Kd 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.96 | 8.58 | 1.1 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 8.21 | 8.21 | 6.1 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | IC50 | 8.21 | 8.21 | 6.1 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.19 | 7.4309 | 6.5 | 34 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 6.5689 | 10.0 | 9 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 7.84 | 7.672 | 14.3 | 5 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 7.54 | 7.1467 | 29.0 | 3 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.52 | 7.415 | 30.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.4 | 7.28 | 39.8 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | EC50 | 7.26 | 7.26 | 54.7 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.23 | 7.23 | 58.9 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Kd | 7.2 | 6.9333 | 63.1 | 3 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 7.1 | 7.1 | 79.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.03 | 7.03 | 93.0 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.02 | 6.92 | 94.7 | 3 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.35 | 109.0 | 4 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.95 | 6.95 | 113.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.86 | 6.86 | 139.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 6.84 | 6.84 | 144.0 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 6.82 | 6.82 | 152.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.8 | 6.8 | 158.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.72 | 6.72 | 189.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.69 | 6.69 | 204.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.64 | 6.64 | 227.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.64 | 6.485 | 227.0 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | IC50 | 6.56 | 6.56 | 273.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.42 | 6.42 | 384.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.41 | 6.29 | 390.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.4 | 6.4 | 402.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.38 | 6.38 | 418.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.28 | 6.28 | 524.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.18 | 6.18 | 666.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.12 | 6.12 | 767.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.7 | mL.min-1.g-1 | Homo sapiens |
| F | 49.0 | % | Homo sapiens |
| T1/2 | 0.08333 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 0.7833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine