KEGG   DRUG: Belumosudil
Entry
D11815                      Drug                                   
Name
Belumosudil (USAN)
Formula
C26H24N6O2
Exact mass
452.1961
Mol weight
452.51
Structure
Remark
ATC code: L04AA48
Chemical structure group: DG03109
Product (DG03109): D11816<JP/US>
Efficacy
Autoimmune disease treatment, Rho-associated kinase inhibitor
Comment
Treatment of autoimmune diseases
Target
ROCK2 [HSA:9475] [KO:K17388]
  Pathway
hsa04062  Chemokine signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA48 Belumosudil
      D11815  Belumosudil (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    ROCK2
     D11815  Belumosudil (USAN)
Other DBs
CAS: 911417-87-3
PubChem: 405226680
LinkDB
KCF data

ATOM        34
            1   C8y C     8.8200  -17.8500
            2   C8y C     8.8200  -19.2500
            3   C8x C    10.0324  -19.9500
            4   C8x C    11.2449  -19.2500
            5   C8y C    11.2449  -17.8500
            6   C8x C    10.0324  -17.1500
            7   C8x C     7.4885  -17.4174
            8   N5x N     6.6656  -18.5500
            9   N4x N     7.4885  -19.6826
            10  N1b N    12.4760  -17.1390
            11  C8y C    12.4757  -15.7501
            12  C8y C    13.6762  -15.0566
            13  C8y C    13.6759  -13.6566
            14  C8x C    12.4633  -12.9569
            15  C8x C    11.2628  -13.6504
            16  C8x C    11.2631  -15.0504
            17  C8x C    14.8888  -15.7563
            18  N5x N    16.1011  -15.0560
            19  C8y C    16.1007  -13.6560
            20  N5x N    14.8881  -12.9563
            21  C8y C    17.3150  -12.9545
            22  C8x C    18.5068  -13.6424
            23  C8y C    19.7191  -12.9422
            24  C8x C    19.7190  -11.5422
            25  C8x C    18.5272  -10.8544
            26  C8x C    17.3149  -11.5545
            27  O2a O    20.9507  -13.6531
            28  C1b C    22.1487  -12.9610
            29  C5a C    23.3349  -13.6457
            30  N1b N    24.5266  -12.9573
            31  O5a O    23.3352  -15.0498
            32  C1c C    25.7160  -13.6438
            33  C1a C    26.9061  -12.9563
            34  C1a C    25.7164  -15.0498
BOND        38
            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     7   8 2
            9     8   9 1
            10    2   9 1
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   12  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   13  20 1
            24   19  21 1
            25   21  22 2
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   21  26 1
            31   23  27 1
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   29  31 2
            36   30  32 1
            37   32  33 1
            38   32  34 1

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