KEGG   DRUG: Firsocostat
Entry
D11640                      Drug                                   

Name
Firsocostat (USAN/INN)
Formula
C28H31N3O8S
Exact mass
569.1832
Mol weight
569.626
Structure
Efficacy
Acetyl-CoA carboxylase inhibitor
Comment
Treatment of metabolic disorders characterized by dysregulated fatty acid metabolism
Target
ACACA [HSA:31] [KO:K11262]
ACACB [HSA:32] [KO:K01946]
  Pathway
hsa00061  Fatty acid biosynthesis
hsa01212  Fatty acid metabolism
hsa04910  Insulin signaling pathway
hsa04922  Glucagon signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Ligases (EC6)
   Acetyl-CoA carboxylase
    ACACA
     D11640  Firsocostat (USAN/INN)
Other DBs
CAS: 1434635-54-7
PubChem: 405226507
ChEMBL: CHEMBL3407547
LinkDB
KCF data

ATOM        40
            1   C8y C    18.2700  -13.0200
            2   N4y N    18.2700  -11.6200
            3   C8y C    19.5300  -10.9200
            4   C8y C    20.7200  -11.6200
            5   C8y C    20.7200  -13.0200
            6   N4y N    19.5300  -13.7200
            7   C1b C    19.5300  -15.1200
            8   C1c C    20.7200  -15.8200
            9   C8y C    22.0500  -11.1300
            10  C8y C    22.8900  -12.3200
            11  S2x S    22.0500  -13.4400
            12  C1d C    17.0800  -10.9200
            13  C1a C    17.0800   -9.5200
            14  C8y C    24.2200  -12.3200
            15  C1a C    22.4700   -9.8000
            16  N5x N    25.0600  -13.4400
            17  C8x C    26.3900  -13.0200
            18  C8x C    26.3900  -11.6200
            19  O2x O    25.0600  -11.2000
            20  O5x O    19.5300   -9.5200
            21  O5x O    17.0800  -13.7200
            22  C6a C    15.8900  -11.6200
            23  C1a C    15.8900  -10.2200
            24  O6a O    14.7000  -10.9200
            25  O6a O    15.8900  -13.0200
            26  O2a O    21.9100  -15.1200
            27  C1y C    23.1000  -15.8200
            28  C8y C    20.7200  -17.2200
            29  C8y C    19.5300  -17.9200
            30  C8x C    19.5300  -19.3200
            31  C8x C    20.7200  -20.0200
            32  C8x C    21.9100  -19.3200
            33  C8x C    21.9100  -17.9200
            34  C1x C    23.1000  -17.2200
            35  C1x C    24.2900  -17.9200
            36  O2x O    25.5500  -17.2200
            37  C1x C    25.5500  -15.8200
            38  C1x C    24.3600  -15.1200
            39  O2a O    18.2700  -17.2200
            40  C1a C    17.0800  -17.9900
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     4   9 1
            10    9  10 2
            11   10  11 1
            12    5  11 1
            13    2  12 1
            14   12  13 1
            15   10  14 1
            16    9  15 1
            17   14  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 1
            22    3  20 2
            23    1  21 2
            24   12  22 1
            25   12  23 1
            26   22  24 1
            27   22  25 2
            28    8  26 1
            29   26  27 1
            30    8  28 1 #Down
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
            37   27  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   27  38 1
            43   29  39 1
            44   39  40 1

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