Gefapixant (CED0011296)

Record Information
Version1.0
Creation Date2026-04-14 20:06:03 UTC
Update Date2026-08-19 06:39:41 UTC
Accession NumberCHEM132801
Identification
Common NameGefapixant
ClassSmall Molecule
Description
Gefapixant is an organic compound with the formula C14H19N5O4S and an average molecular weight of 353.40 g/mol. Gefapixant belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This compound is found in or released from two recorded sources: pharmaceuticals & veterinary products, specifically gynecologicals and cough and cold preparations. The recorded route of exposure for gefapixant is oral. Regarding its biological activity, gefapixant acts on two recorded protein targets, serving as an inhibitor and antagonist of P2X purinoceptor 3 (P2RX3) and P2X purinoceptor 2 (P2RX2).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H19N5O4S
Average Molecular Mass353.400 g/mol
Monoisotopic Mass353.116 g/mol
CAS Registry Number1015787-98-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O
InChI IdentifierInChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
InChI KeyHLWURFKMDLAKOD-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3280.0Log mg/kg[1800:5800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
316GynecologicalsHealthcare, pharmaceuticals & veterinary productsNot Available
392Cough and cold preparationsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0A017Staphylococcus aureusPredicted (SEA)2.17978
Click to view 3D structureP2X purinoceptor 3P49654Rattus norvegicusPredicted (SEA)0.778492
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)12.4559
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)13.3901
Click to view 3D structureDihydrofolate reductaseP04174Neisseria gonorrhoeaePredicted (SEA)3.73676
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)21.0193
Click to view 3D structureDihydrofolate reductaseQ8Z9J9Salmonella enterica subsp. enterica serovar TyphiPredicted (SEA)4.12601
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)17.5161
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ27713Plasmodium berghei str. ANKAPredicted (SEA)3.73676
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ07422Toxoplasma gondiiPredicted (SEA)20.3965
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)16.7376
Bifunctional dihydrofolate reductase-thymidylate synthase structureClick to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseP13922Plasmodium falciparum (isolate K1 / Thailand)Predicted (SEA)9.73115
Click to view 3D structureDihydrofolate reductaseQ59487Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcuslactis)Predicted (SEA)3.81461
Click to view 3D structureDihydrofolate reductase type 1P00382Escherichia coliPredicted (SEA)3.58106
Click to view 3D structureDihydrofolate reductaseO30463Mycobacterium aviumPredicted (SEA)8.01847
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)41.1822
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)5.91654
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4Q99571HumansPredicted (SEA)28.7264
Click to view 3D structureP2X purinoceptor 2Q9UBL9HumansPredicted (SEA)19.5402
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP22906YeastPredicted (SEA)8.95266
Click to view 3D structureP2X purinoceptor 7Q99572HumansPredicted (SEA)16.9711
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ27552Cryptosporidium parvumPredicted (SEA)4.67095
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)42.1943
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00378Gallus gallusPredicted (SEA)10.8989
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP9WNX1Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)2.41333
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available