KEGG   DRUG: Praliciguat
Entry
D11274                      Drug                                   

Name
Praliciguat (USAN/INN)
Formula
C21H14F8N6O2
Exact mass
534.105
Mol weight
534.3621
Structure
Simcomp
Class
Cardiovascular agent
 DG03006  Guanylate cyclase activator
Efficacy
Vasodilator, Guanylate cyclase activator
Comment
Treatment of cardiovascular conditions
Target
GUCY1A [HSA:2977 2982] [KO:K12318]
GUCY1B [HSA:2983] [KO:K12319]
  Pathway
hsa04270  Vascular smooth muscle contraction
hsa04611  Platelet activation
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG03006  Guanylate cyclase activator
   D11274  Praliciguat
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    GUCY1A
     D11274  Praliciguat (USAN/INN)
    GUCY1B
     D11274  Praliciguat (USAN/INN)
Other DBs
CAS: 1628730-49-3
PubChem: 384585252
ChEMBL: CHEMBL4297214
LinkDB
KCF data

ATOM        37
            1   N5x N    18.2000  -12.1800
            2   C8y C    18.2000  -13.5800
            3   N5x N    19.3900  -14.2800
            4   C8y C    20.6500  -13.5800
            5   C8y C    20.6500  -12.1800
            6   C8x C    19.3900  -11.4800
            7   C8y C    17.0100  -14.2800
            8   N5x N    15.8900  -13.4400
            9   N4y N    14.7700  -14.2800
            10  C8y C    15.1900  -15.6100
            11  C8x C    16.5900  -15.6100
            12  X   F    21.8400  -11.4800
            13  N1b N    21.8400  -14.2800
            14  C1b C    23.0300  -13.5800
            15  C1d C    24.2200  -14.2800
            16  C1b C    13.5800  -13.5800
            17  C8y C    12.3900  -14.2800
            18  C8y C    11.1719  -13.5899
            19  C8x C     9.9652  -14.2997
            20  C8x C     9.9066  -15.6997
            21  C8x C    11.1947  -16.3898
            22  C8x C    12.4014  -15.6800
            23  X   F    11.2303  -12.1806
            24  C8y C    14.3624  -16.7392
            25  C8x C    12.9500  -16.7334
            26  C8x C    12.5081  -18.0750
            27  O2x O    13.6473  -18.9098
            28  N5x N    14.7934  -18.0843
            29  O1a O    25.4267  -14.9898
            30  C1d C    23.5939  -15.5322
            31  C1d C    24.8461  -13.0278
            32  X   F    26.2479  -13.0137
            33  X   F    24.0723  -11.8559
            34  X   F    25.4761  -11.7678
            35  X   F    22.1921  -15.5463
            36  X   F    24.3677  -16.7041
            37  X   F    22.9639  -16.7922
BOND        40
            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 2
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12    7  11 1
            13    5  12 1
            14    4  13 1
            15   13  14 1
            16   14  15 1
            17   16   9 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   18  23 1
            26   10  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 1
            31   24  28 2
            32   15  29 1
            33   15  30 1
            34   15  31 1
            35   31  32 1
            36   31  33 1
            37   31  34 1
            38   30  35 1
            39   30  36 1
            40   30  37 1

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