KEGG   DRUG: Gefapixant
Entry
D11349                      Drug                                   
Name
Gefapixant (USAN/INN)
Formula
C14H19N5O4S
Exact mass
353.1158
Mol weight
353.40
Structure
Class
Unclassified
 DG03292  Purinergic receptor P2X 3 antagonist
Remark
ATC code: R05DB29
Chemical structure group: DG03083
Product (DG03083): D11693<JP>
Efficacy
Analgesic, Anti-inflammatory, Antitussive, P2X3 receptor antagonist
Comment
Treatment of inflammatory, visceral, neuropathic and cancer pain and respiratory symptoms, including cough
Target
P2RX3 [HSA:5024] [KO:K05217]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DB Other cough suppressants
     R05DB29 Gefapixant
      D11349  Gefapixant (USAN/INN)
Drug groups [BR:br08330]
 Unclassified
  DG03292  Purinergic receptor P2X 3 antagonist
   DG03083  Gefapixant
    D11349  Gefapixant
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   ATP-gated cation channel (P2X)
    P2RX3
     D11349  Gefapixant (USAN/INN)
Drug groups [BR:br08330]
 Unclassified
  DG03292  Purinergic receptor P2X 3 antagonist
   DG03083  Gefapixant
Other DBs
CAS: 1015787-98-0
PubChem: 384585327
PDB-CCD: AF9[PDBj]
LinkDB
KCF data

ATOM        24
            1   C8x C    15.8900  -17.9900
            2   C8y C    15.8900  -19.3900
            3   C8y C    14.7000  -20.0900
            4   C8x C    13.4400  -19.3900
            5   C8y C    13.4400  -17.9900
            6   C8y C    14.7000  -17.2900
            7   O2a O    17.0800  -20.0900
            8   C8y C    18.2700  -19.3900
            9   C8x C    18.2700  -17.9900
            10  N5x N    19.5300  -17.2900
            11  C8y C    20.7200  -17.9900
            12  N5x N    20.7200  -19.3900
            13  C8y C    19.5300  -20.0900
            14  N1a N    21.9100  -17.2900
            15  S4a S    14.7000  -15.8900
            16  O2a O    12.2500  -17.2900
            17  C1a C    11.0600  -17.9900
            18  C1c C    14.7000  -21.4900
            19  C1a C    15.8900  -22.1900
            20  C1a C    13.5100  -22.1900
            21  O3c O    13.3000  -15.8900
            22  O3c O    16.1000  -15.8900
            23  N1a N    14.7000  -14.4900
            24  N1a N    19.5472  -21.4899
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16    6  15 1
            17    5  16 1
            18   16  17 1
            19    3  18 1
            20   18  19 1
            21   18  20 1
            22   15  21 2
            23   15  22 2
            24   15  23 1
            25   13  24 1

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