KEGG   DRUG: Olumacostat glasaretil
Entry
D11186                      Drug                                   
Name
Olumacostat glasaretil (USAN/INN)
Formula
C26H43NO7
Exact mass
481.304
Mol weight
481.6221
Structure
Efficacy
Anti-acne
Comment
Treatment of acne vulgaris
Target
ACACA [HSA:31] [KO:K11262]
ACACB [HSA:32] [KO:K01946]
  Pathway
hsa00061  Fatty acid biosynthesis
hsa01212  Fatty acid metabolism
hsa04920  Adipocytokine signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Ligases (EC6)
   Acetyl-CoA carboxylase
    ACACA
     D11186  Olumacostat glasaretil (USAN/INN)
    ACACB
     D11186  Olumacostat glasaretil (USAN/INN)
Other DBs
CAS: 1261491-89-7
LinkDB
KCF data

ATOM        34
            1   C8y C    16.3800  -19.1800
            2   C8x C    16.8000  -20.5100
            3   C8x C    18.2000  -20.5100
            4   C8y C    18.6200  -19.1800
            5   O2x O    17.5000  -18.3400
            6   O2a O    15.1900  -18.4800
            7   C1b C    14.0000  -19.1800
            8   C1b C    12.8100  -18.4800
            9   C1b C    11.6200  -19.1800
            10  C1b C    10.4300  -18.4800
            11  C1b C     9.2400  -19.1800
            12  C1b C     8.0500  -18.4800
            13  C1b C     8.0500  -17.0800
            14  C1b C     9.2400  -16.3800
            15  C1b C    10.4300  -17.0800
            16  C1b C    11.6200  -16.3800
            17  C1b C    12.8100  -17.0800
            18  C1b C    14.0000  -16.3800
            19  C1b C    15.1900  -17.0800
            20  C1a C    16.3800  -16.3800
            21  C7a C    19.8100  -18.4800
            22  O7a O    21.0000  -19.1800
            23  O6a O    19.8100  -17.0800
            24  C1b C    22.1900  -18.4800
            25  C5a C    23.3800  -19.1800
            26  N1c N    24.5700  -18.4800
            27  O5a O    23.3800  -20.5800
            28  C1b C    25.7881  -19.1701
            29  C1a C    24.5586  -17.0800
            30  C7a C    26.9695  -18.4750
            31  O7a O    28.1749  -19.1580
            32  O6a O    26.9581  -17.0800
            33  C1b C    29.3461  -18.4691
            34  C1a C    30.5565  -19.1551
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     6   1 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   21  22 1
            22   21   4 1
            23   21  23 2
            24   22  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 2
            28   26  28 1
            29   26  29 1
            30   28  30 1
            31   30  31 1
            32   30  32 2
            33   31  33 1
            34   33  34 1

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