KEGG   DRUG: Belumosudil mesylate
Entry
D11816                      Drug                                   

Name
Belumosudil mesylate (USAN);
Rezurock (TN)
Product
Formula
C26H24N6O2. CH4SO3
Exact mass
548.1842
Mol weight
548.6134
Structure
Remark
Chemical structure group: DG03109
Product (DG03109): D11816<US>
Efficacy
Autoimmune disease treatment, Rho-associated kinase inhibitor
  Disease
Chronic graft-versus-host disease [DS:H00084]
Target
ROCK2 [HSA:9475] [KO:K17388]
  Pathway
hsa04062  Chemokine signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    ROCK2
     D11816  Belumosudil mesylate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11816
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11816
Other DBs
PubChem: 405226681
ChEMBL: CHEMBL4594303
LinkDB
KCF data

ATOM        39
            1   C8y C    10.6314  -18.6050
            2   C8y C    10.6314  -20.0039
            3   C8x C    11.8904  -20.7033
            4   C8x C    13.0795  -20.0039
            5   C8y C    13.0795  -18.6050
            6   C8x C    11.8904  -17.9056
            7   C8x C     9.3025  -18.1853
            8   N5x N     8.4632  -19.3044
            9   N4x N     9.3025  -20.4235
            10  N1b N    14.3384  -17.9056
            11  C8y C    14.3384  -16.5067
            12  C8y C    15.5275  -15.8073
            13  C8y C    15.5275  -14.4084
            14  C8x C    14.3384  -13.7089
            15  C8x C    13.0795  -14.4084
            16  C8x C    13.0795  -15.8073
            17  C8x C    16.7165  -16.5067
            18  N5x N    17.9755  -15.8073
            19  C8y C    17.9755  -14.4084
            20  N5x N    16.7165  -13.7089
            21  C8y C    19.1645  -13.7089
            22  C8x C    20.3536  -14.3384
            23  C8y C    21.6126  -13.6390
            24  C8x C    21.6126  -12.2401
            25  C8x C    20.3536  -11.6106
            26  C8x C    19.1645  -12.3101
            27  O2a O    22.8016  -14.4084
            28  C1b C    23.9907  -13.7089
            29  C5a C    25.1797  -14.4084
            30  N1b N    26.3687  -13.7089
            31  O5a O    25.1797  -15.8073
            32  C1c C    27.5578  -14.3384
            33  C1a C    28.7468  -13.7089
            34  C1a C    27.5578  -15.8073
            35  S4a S    24.2200  -20.1600
            36  O1d O    24.2200  -18.7600
            37  O1d O    24.2200  -21.5600
            38  C1a C    22.8200  -20.1600
            39  O1d O    25.6200  -20.1600
BOND        42
            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
            39   35  36 2
            40   35  37 2
            41   35  38 1
            42   35  39 1

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