KEGG   DRUG: Eliapixant
Entry
D12323                      Drug                                   
Name
Eliapixant (USAN/INN)
Formula
C22H21F3N4O3S
Exact mass
478.1286
Mol weight
478.49
Structure
Class
Unclassified
 DG03292  Purinergic receptor P2X 3 antagonist
Efficacy
Analgesic, P2X3 receptor antagonist
Comment
Treatment of chronic cough, pain associated with endometriosis, overactive bladder and pain associated with diabetic peripheral neuropathy
Target
P2RX3 [HSA:5024] [KO:K05217]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Drug groups [BR:br08330]
 Unclassified
  DG03292  Purinergic receptor P2X 3 antagonist
   D12323  Eliapixant
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   ATP-gated cation channel (P2X)
    P2RX3
     D12323  Eliapixant (USAN/INN)
Other DBs
CAS: 1948229-21-7
PubChem: 497620736
LinkDB
KCF data

ATOM        33
            1   C8y C    18.9000  -18.5500
            2   C8x C    18.9000  -17.1500
            3   C8y C    20.0900  -16.4500
            4   C8x C    21.3500  -17.1500
            5   C8y C    21.3500  -18.5500
            6   C8x C    20.0900  -19.2500
            7   O2a O    17.7100  -19.2500
            8   C1y C    16.5200  -18.5500
            9   C1x C    15.2600  -19.1100
            10  O2x O    14.3500  -18.1300
            11  C1x C    14.9800  -16.9400
            12  C1x C    16.3800  -17.2200
            13  C5a C    22.5400  -19.2500
            14  N1b N    23.7300  -18.5500
            15  O5a O    22.5400  -20.6500
            16  C1c C    24.9200  -19.2500
            17  C8y C    26.1100  -18.5500
            18  C1a C    24.9200  -20.6500
            19  C8x C    26.1100  -17.1500
            20  N5x N    27.3700  -16.4500
            21  C8y C    28.5600  -17.1500
            22  N5x N    28.5600  -18.5500
            23  C8x C    27.3700  -19.2500
            24  C1d C    29.7500  -16.4500
            25  X   F    31.0100  -15.7500
            26  X   F    30.4500  -17.6400
            27  X   F    29.0500  -15.2600
            28  C8y C    20.0900  -15.0500
            29  S2x S    18.9700  -14.2100
            30  C8y C    19.3900  -12.8800
            31  C8x C    20.7900  -12.8800
            32  N5x N    21.2800  -14.2100
            33  C1a C    18.5500  -11.7600
BOND        36
            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     1   7 1
            8     8   7 1 #Up
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14    5  13 1
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   16  18 1 #Up
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   17  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 1
            29   24  27 1
            30    3  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   28  32 2
            36   30  33 1

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