KEGG   DRUG: Netarsudil mesylate
Entry
D11031                      Drug                                   
Name
Netarsudil mesylate (USAN);
Netarsudil mesilate (JAN);
Rhopressa (TN)
Product
RHOPRESSA (Aerie Pharmaceuticals)
Formula
C28H27N3O3. (CH4SO3)2
Exact mass
645.1815
Mol weight
645.7436
Structure
Simcomp
Class
Ophthalmic agent
 DG03201  Intraocular pressure lowering agent
Remark
ATC code: S01EX05
Chemical structure group: DG02692
Product (DG02692): D11031<US>
Product (mixture): D11558<US>
Efficacy
Antiglaucoma, Rho-associated kinase inhibitor
  Disease
Open-angle glaucoma [DS:H00612]
Target
ROCK [HSA:6093 9475] [KO:K04514 K17388]
  Pathway
hsa04022  cGMP-PKG signaling pathway
hsa04270  Vascular smooth muscle contraction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EX Other antiglaucoma preparations
     S01EX05 Netarsudil
      D11031  Netarsudil mesylate (USAN) <US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Intraocular Pressure Lowering Agents
   Prostaglandin and Prostamide Analogs, Ophthalmic
    Netarsudil
     D11031  Netarsudil mesylate (USAN)
Drug groups [BR:br08330]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG02692  Netarsudil
    D11031  Netarsudil mesylate
Drug classes [BR:br08332]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   D11031  Netarsudil mesylate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    ROCK
     D11031  Netarsudil mesylate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11031
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11031
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11031
Drug groups [BR:br08330]
 Ophthalmic agent
  DG03201  Intraocular pressure lowering agent
   DG02692  Netarsudil
Other DBs
CAS: 1422144-42-0
PubChem: 350078350
LinkDB
KCF data

ATOM        44
            1   C8x C    10.2929  -15.4754
            2   N5x N    10.2929  -16.8759
            3   C8x C    11.5533  -17.5762
            4   C8y C    12.7437  -16.8759
            5   C8y C    12.7437  -15.4754
            6   C8x C    11.5533  -14.7752
            7   C8x C    13.9341  -17.5762
            8   C8x C    15.1946  -16.8759
            9   C8y C    15.1946  -15.4754
            10  C8x C    13.9341  -14.7752
            11  N1b N    16.3850  -14.7752
            12  C5a C    17.5754  -15.4754
            13  C1c C    18.7658  -14.7752
            14  C8y C    19.9562  -15.4754
            15  O5a O    17.5754  -16.8759
            16  C1b C    18.7658  -13.3747
            17  N1a N    19.9562  -12.6745
            18  C8x C    19.9562  -16.8759
            19  C8x C    21.1466  -17.5762
            20  C8y C    22.4071  -16.8759
            21  C8x C    22.4071  -15.4754
            22  C8x C    21.1466  -14.7752
            23  C1b C    23.5975  -17.5762
            24  O7a O    24.7879  -16.8759
            25  C7a C    25.9783  -17.5762
            26  C8y C    27.1687  -16.8759
            27  O6a O    25.9783  -18.9766
            28  C8y C    28.4291  -17.5762
            29  C8x C    29.6195  -16.8759
            30  C8y C    29.6195  -15.4754
            31  C8x C    28.4291  -14.7752
            32  C8x C    27.1687  -15.4754
            33  C1a C    28.4291  -18.9766
            34  C1a C    30.8099  -14.7752
            35  S4a S    36.2600  -16.4500
            36  O1d O    34.8600  -16.4500
            37  C1a C    37.6600  -16.4500
            38  O1d O    36.2600  -15.0500
            39  O1d O    36.2600  -17.8500
            40  S4a S    36.2600  -16.4500
            41  O1d O    34.8600  -16.4500
            42  C1a C    37.6600  -16.4500
            43  O1d O    36.2600  -15.0500
            44  O1d O    36.2600  -17.8500
BOND        45
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   12  15 2
            17   13  16 1 #Down
            18   16  17 1
            19   14  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   14  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
            30   26  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   26  32 1
            36   28  33 1
            37   30  34 1
            38   35  36 1
            39   35  37 1
            40   35  38 2
            41   35  39 2
            42   40  41 1
            43   40  42 1
            44   40  43 2
            45   40  44 2
BRACKET     1    33.1100  -18.6900   33.1100  -14.2100
            1    39.4100  -14.2100   39.4100  -18.6900
            1  2
 ORIGINAL  1   35  36  37  38  39
 REPEAT    1   40  41  42  43  44

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