GEFAPIXANT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6K6L7E3F1L

Structure
InChI Key HLWURFKMDLAKOD-UHFFFAOYSA-N
Smile COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O
InChI
InChI=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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N5O4S
Molecular Weight 353.4
AlogP 1.21
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 156.44
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST P2X purinoceptor 3 antagonist PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel P2X receptor
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cough 3 D003371 ClinicalTrials
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Cystitis, Interstitial 2 D018856 ClinicalTrials
Sleep Apnea, Obstructive 1 D020181 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1015787-98-0
ChEMBL CHEMBL3716057
DrugBank DB15097
FDA SRS 6K6L7E3F1L
Guide to Pharmacology 9540
PDB AF9
PubChem 24764487
SureChEMBL SCHEMBL1493905
ZINC ZINC000116342482
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