KEGG   DRUG: Olinciguat
Entry
D11475                      Drug                                   

Name
Olinciguat (USAN/INN)
Formula
C21H16F5N7O3
Exact mass
509.1235
Mol weight
509.3889
Structure
Simcomp
Class
Cardiovascular agent
 DG03006  Guanylate cyclase activator
Efficacy
Vasodilator, Guanylate cyclase activator
Comment
Treatment of cardiovascular disorders
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
   D11475  Olinciguat
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    GUCY1A
     D11475  Olinciguat (USAN/INN)
    GUCY1B
     D11475  Olinciguat (USAN/INN)
Other DBs
CAS: 1628732-62-6
PubChem: 384585451
ChEMBL: CHEMBL4297616
LinkDB
KCF data

ATOM        36
            1   N5x N    18.7374  -13.1441
            2   C8y C    18.7374  -14.5424
            3   N5x N    19.9259  -15.2416
            4   C8y C    21.1844  -14.5424
            5   C8y C    21.1844  -13.1441
            6   C8x C    19.9259  -12.4450
            7   C8y C    17.5488  -15.2416
            8   N5x N    16.4301  -14.4026
            9   N4y N    15.3115  -15.2416
            10  C8y C    15.7310  -16.5700
            11  C8x C    17.1293  -16.5700
            12  X   F    22.3730  -12.4450
            13  N1b N    22.3730  -15.2416
            14  C1b C    23.5615  -14.5424
            15  C1d C    24.7501  -15.2416
            16  C1b C    14.1229  -14.5424
            17  C8y C    12.9344  -15.2416
            18  C8y C    11.6759  -14.5424
            19  C8x C    10.4873  -15.2416
            20  C8x C    10.4874  -16.6399
            21  C8x C    11.7458  -17.3390
            22  C8x C    12.9344  -16.6399
            23  X   F    11.6758  -13.1441
            24  C8y C    14.8920  -17.6886
            25  C8x C    13.4937  -17.6886
            26  C8x C    13.0043  -19.0170
            27  O2x O    14.1928  -19.8560
            28  N5x N    15.3115  -19.0170
            29  O1a O    25.9387  -15.9407
            30  C5a C    24.1209  -16.5001
            31  C1d C    25.3793  -13.9831
            32  X   F    26.7776  -13.9831
            33  X   F    24.6103  -12.7945
            34  X   F    26.0086  -12.7246
            35  O5a O    22.7225  -16.5001
            36  N1a N    24.8899  -17.6187
BOND        39
            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 #Up
            33   15  30 1
            34   15  31 1
            35   31  32 1
            36   31  33 1
            37   31  34 1
            38   30  35 2
            39   30  36 1

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