Compound Detail
CHEMBL3716057
GEFAPIXANT 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL3716057 |
| Name | GEFAPIXANT |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HLWURFKMDLAKOD-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
10
Publications
8
Known Names
7
Indications
1
Mechanisms
Molecular Properties
353.4
MW (Da)
1.21
ALogP
8
HBA
3
HBD
156.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2023 |
| Availability | Unknown |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| P2X purinoceptor 3 antagonist | ANTAGONIST | P2X purinoceptor 3 | ✓ | ✓ |
Indications
Cough Asthma Cystitis, Interstitial Idiopathic Pulmonary Fibrosis Osteoarthritis, Knee Renal Insufficiency Sleep Apnea, Obstructive
ATC Classification
R05DB29
gefapixant
Level 1: RESPIRATORY SYSTEM
Level 2: COUGH AND COLD PREPARATIONS
Activity Summary
IC50 4 meas. best 7.52
Ki 2 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 7.52 | 7.4067 | 30.0 | 3 |
| P2X purinoceptor 3 CHEMBL4824 | Ki | 7.15 | 7.15 | 70.8 | 1 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | Ki | 7.05 | 7.05 | 89.1 | 1 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.2 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at human P2X3 receptor | 39102524 |
| P2X purinoceptor 3 | IC50 | = | 45.0 | nM | 7.35 | Antagonist activity at human recombinant P2X3 receptor expressed in HEK293-Tet-o... | 27423478 |
| P2X purinoceptor 3 | IC50 | = | 45.0 | nM | 7.35 | Antagonist activity at human P2X3R expressed in HEK293 cells assessed as reducti... | 35849939 |
| P2X purinoceptor 3 | Ki | = | 70.79 | nM | 7.15 | Antagonist activity against rat P2X3 receptor expressed in CHOK1 cells assessed ... | - |
| P2X2/P2X3 heterotrimeric receptor | Ki | = | 89.13 | nM | 7.05 | Antagonist activity against human P2X2/3 receptor expressed in CHOK1 cells asses... | - |
| P2X2/P2X3 heterotrimeric receptor | IC50 | = | 520.0 | nM | 6.28 | Antagonist activity at human P2X2/3 receptor | 39102524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27423478 | 10.1016/j.bmcl.2016.07.009 | ADMET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 27423478 | 10.1016/j.bmcl.2016.07.009 | P2X purinoceptor 3 | 1 |
| 27423478 | 10.1016/j.bmcl.2016.07.009 | No relevant target | 1 |
| 27423478 | 10.1016/j.bmcl.2016.07.009 | Caco-2 | 1 |
| 27423478 | 10.1016/j.bmcl.2016.07.009 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 35849939 | 10.1016/j.ejmech.2022.114556 | P2X purinoceptor 3 | 1 |
| 39102524 | 10.1021/acs.jmedchem.4c01214 | P2X purinoceptor 3 | 1 |
| 39102524 | 10.1021/acs.jmedchem.4c01214 | P2X2/P2X3 heterotrimeric receptor | 1 |
Data from ChEMBL 36 via Core Engine