Compound Detail
CHEMBL46
ONDANSETRON 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL46 |
| Name | ONDANSETRON |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FELGMEQIXOGIFQ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
30
Targets
91
Activities
3
Assay Types
17
PK Parameters
20
Publications
8
Known Names
20
Indications
1
Mechanisms
Molecular Properties
293.4
MW (Da)
3.13
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1991 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 3a (5-HT3a) receptor antagonist | ANTAGONIST | 5-hydroxytryptamine receptor 3A | ✓ | ✓ |
Indications
Nausea Nausea Nausea Neoplasms Postoperative Nausea and Vomiting Postoperative Nausea and Vomiting Postoperative Nausea and Vomiting Alcoholism Alcoholism Gastroenteritis Genital Neoplasms, Female HIV Infections Hypotension Irritable Bowel Syndrome Pain Schizophrenia Syncope Uterine Cervical Neoplasms Vomiting Amphetamine-Related Disorders
ATC Classification
A04AA01
ondansetron
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIEMETICS AND ANTINAUSEANTS
Activity Summary
Ki 41 meas. best 9.11
IC50 33 meas. best 10.05
Kd 17 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Kd | 10.1 | 8.8517 | 0.1 | 6 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 9.9 | 7.9 | 0.1 | 3 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.11 | 8.3147 | 0.8 | 19 |
| Rattus norvegicus CHEMBL376 | Kd | 8.99 | 7.895 | 1.0 | 2 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.85 | 8.3914 | 1.4 | 7 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.68 | 8.64 | 2.1 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.6 | 7.47 | 2.5 | 2 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 8.55 | 8.1525 | 2.8 | 4 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 8.12 | 8.02 | 7.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.03 | 6.79 | 9.3 | 2 |
| Serotonin 3 receptor (5HT3) CHEMBL2111333 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 7.52 | 7.0467 | 30.0 | 3 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | Kd | 7.11 | 6.97 | 77.6 | 3 |
| Unchecked CHEMBL612545 | Kd | 6.9 | 6.9 | 125.9 | 1 |
| Multidrug and toxin extrusion protein 2 CHEMBL1743127 | IC50 | 6.8 | 6.16 | 160.0 | 3 |
| Cavia porcellus CHEMBL369 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.4 | 6.152 | 400.0 | 5 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.17 | 6.17 | 680.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 6.17 | 6.17 | 680.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.14 | 6.14 | 717.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 6.05 | 5.91 | 890.0 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL4317 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Solute carrier family 22 member 3 CHEMBL2073673 | IC50 | 4.76 | 4.76 | 17400.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL5450 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 4.34 | 4.34 | 46000.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.8 | mL.min-1.g-1 | Homo sapiens |
| CL | 5.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.46 | mL.min-1.g-1 | Homo sapiens |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| Cmax | 130.0 | nM | Homo sapiens |
| F | 79.0 | % | Homo sapiens |
| F | 21.0 | % | Rattus norvegicus |
| F | 56.0 | % | Homo sapiens |
| Fu | 0.27 | - | Homo sapiens |
| Fu | 0.27 | - | Homo sapiens |
| Fu | 0.94 | - | Homo sapiens |
| MRT | 5.2 | hr | Homo sapiens |
| T1/2 | 3.4 | hr | Homo sapiens |
| T1/2 | 3.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine