KEGG   DRUG: Molidustat
Entry
D12122                      Drug                                   
Name
Molidustat (USAN/INN)
Formula
C13H14N8O2
Exact mass
314.1240
Mol weight
314.30
Structure
Remark
ATC code: B03XA09
Chemical structure group: DG03157
Product (DG03157): D11273<JP>
Efficacy
Anti-anemic, Hypoxia inducible factor-prolyl hydroxylase (HIF-PH) inhibitor
Comment
Management of anemia associated with chronic kidney disease in cats
Target
EGLN (HPH) [HSA:54583 112398 112399] [KO:K09592]
  Pathway
hsa04066  HIF-1 signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B03 ANTIANEMIC PREPARATIONS
   B03X OTHER ANTIANEMIC PREPARATIONS
    B03XA Other antianemic preparations
     B03XA09 Molidustat
      D12122  Molidustat (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   HIF hydroxylase
    EGLN (HPH)
     D12122  Molidustat (USAN/INN)
Other DBs
CAS: 1154028-82-6
PubChem: 497620535
PDB-CCD: QEQ[PDBj]
LinkDB
KCF data

ATOM        23
            1   C8y C    17.7389  -18.2297
            2   N5x N    17.7389  -19.6320
            3   C8x C    19.0010  -20.3332
            4   N5x N    20.1929  -19.6320
            5   C8y C    20.1929  -18.2297
            6   C8x C    19.0010  -17.5286
            7   N1y N    21.4550  -17.5286
            8   C1x C    22.6469  -18.2297
            9   C1x C    23.8389  -17.5286
            10  O2x O    23.8389  -16.1263
            11  C1x C    22.6469  -15.4251
            12  C1x C    21.4550  -16.1263
            13  N4y N    16.5470  -17.5286
            14  C8y C    16.5470  -16.1263
            15  C8y C    15.2148  -15.7056
            16  C8x C    14.3734  -16.8274
            17  N5x N    15.2148  -17.9493
            18  N4y N    14.7941  -14.3734
            19  C8x C    15.6355  -13.2516
            20  C8x C    14.8642  -12.1297
            21  N5x N    13.5320  -12.5504
            22  N5x N    13.4619  -13.9527
            23  O1a O    17.6707  -15.3026
BOND        26
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   13  17 1
            20   15  18 1
            21   18  19 1
            22   20  21 1
            23   21  22 2
            24   18  22 1
            25   19  20 2
            26   14  23 1

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