GEFAPIXANT

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Synonyms
Status
Molecule Category Free-form
UNII 6K6L7E3F1L

Structure

InChI Key HLWURFKMDLAKOD-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
P2X purinoceptor 3 antagonist ANTAGONIST PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel P2X receptor
- 45 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 45 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3716057
DrugBank DB15097
FDA SRS 6K6L7E3F1L
Guide to Pharmacology 9540
PDB AF9
PubChem 24764487
SureChEMBL SCHEMBL1493905
ZINC ZINC000116342482
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