KEGG   DRUG: NetarsudilHelp
Entry
D11030                      Drug                                   

Name
Netarsudil (USAN/INN)
Formula
C28H27N3O3
Exact mass
453.2052
Mol weight
453.5323
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: S01EX05
Chemical structure group: DG02692
Product (DG02692): D11031<US>
Efficacy
Antiglaucoma, Rho-associated kinase inhibitor
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
      D11030  Netarsudil (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   DMPK family
    ROCK
     D11030  Netarsudil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1254032-66-0
PubChem: 350078349
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8x C     3.4300  -15.6800
            2   N5x N     3.4300  -17.0800
            3   C8x C     4.6424  -17.7800
            4   C8y C     5.8549  -17.0800
            5   C8y C     5.8549  -15.6800
            6   C8x C     4.6424  -14.9800
            7   C8x C     7.0673  -17.7800
            8   C8x C     8.2797  -17.0800
            9   C8y C     8.2797  -15.6800
            10  C8x C     7.0673  -14.9800
            11  N1b N     9.4773  -14.9885
            12  C5a C    10.6656  -15.6745
            13  C1c C    11.8564  -14.9869
            14  C8y C    13.0460  -15.6737
            15  O5a O    10.6657  -17.0798
            16  C1b C    11.8564  -13.5802
            17  N1a N    13.0490  -12.8915
            18  C8x C    13.0462  -17.0798
            19  C8x C    14.2586  -17.7797
            20  C8y C    15.4710  -17.0796
            21  C8x C    15.4709  -15.6735
            22  C8x C    14.2584  -14.9736
            23  C1b C    16.6829  -17.7791
            24  O7a O    17.8776  -17.0891
            25  C7a C    19.0655  -17.7747
            26  C8y C    20.2563  -17.0868
            27  O6a O    19.0658  -19.1798
            28  C8y C    21.4461  -17.7736
            29  C8x C    22.6585  -17.0734
            30  C8y C    22.6583  -15.6734
            31  C8x C    21.4685  -14.9867
            32  C8x C    20.2562  -15.6868
            33  C1a C    21.4464  -19.1798
            34  C1a C    23.8839  -14.9654
BOND        37
            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

» Japanese version   » Back

DBGET integrated database retrieval system