Compound Detail
CHEMBL289469
GRANISETRON 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL289469 |
| Name | GRANISETRON |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MFWNKCLOYSRHCJ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
14
Targets
80
Activities
4
Assay Types
11
PK Parameters
20
Publications
8
Known Names
16
Indications
1
Mechanisms
Molecular Properties
312.4
MW (Da)
2.32
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1993 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin 3a (5-HT3a) receptor antagonist | ANTAGONIST | 5-hydroxytryptamine receptor 3A | ✓ | ✓ |
Indications
Nausea Nausea Neoplasms Neoplasms Postoperative Nausea and Vomiting Postoperative Nausea and Vomiting Postoperative Nausea and Vomiting Vomiting Carcinoma, Hepatocellular Pain Uterine Cervical Neoplasms Gastroparesis Glioma Leukemia, Mast-Cell Lymphoma Pruritus
ATC Classification
A04AA02
granisetron
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIEMETICS AND ANTINAUSEANTS
Activity Summary
Ki 28 meas. best 9.6
Kd 25 meas. best 10.7
EC50 16 meas. best 7.13
IC50 11 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Kd | 10.7 | 9.4167 | 0.0 | 6 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Kd | 10.6 | 10.6 | 0.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 9.96 | 9.96 | 0.1 | 1 |
| 5-hydroxytryptamine receptor 3B CHEMBL3895 | Kd | 9.8 | 9.574 | 0.2 | 5 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Kd | 9.72 | 9.331 | 0.2 | 10 |
| Serotonin 3 (5-HT3) receptor CHEMBL2111332 | Kd | 9.7 | 9.7 | 0.2 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.6 | 9.0253 | 0.3 | 19 |
| Cavia porcellus CHEMBL369 | Kd | 9.2 | 9.2 | 0.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.12 | 9.12 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 8.84 | 8.6933 | 1.4 | 3 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 8.68 | 8.15 | 2.1 | 2 |
| NG108-15 CHEMBL613828 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | EC50 | 7.13 | 6.8 | 74.0 | 9 |
| Unchecked CHEMBL612545 | EC50 | 6.89 | 5.9033 | 130.0 | 6 |
| Serotonin 3 (5-HT3) receptor CHEMBL2111332 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.43 | 5.424 | 3715.3 | 5 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 4.42 | 4.42 | 38000.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-3 CHEMBL3068 | Ki | 4.17 | 4.17 | 67000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 8.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.1 | mL.min-1.kg-1 | Homo sapiens |
| F | 60.0 | % | Homo sapiens |
| Fu | 0.35 | - | Homo sapiens |
| Fu | 0.35 | - | Homo sapiens |
| MRT | 6.7 | hr | Homo sapiens |
| T1/2 | 5.0 | hr | - |
| T1/2 | 5.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine