KEGG   DRUG: Enasidenib
Entry
D10901                      Drug                                   
Name
Enasidenib (USAN/INN)
Formula
C19H17F6N7O
Exact mass
473.1399
Mol weight
473.375
Structure
Simcomp
Remark
ATC code: L01XX59
Chemical structure group: DG02837
Product (DG02837): D11044<US>
Efficacy
Antineoplastic
Target
IDH2 [HSA:3418] [KO:K00031]
  Pathway
hsa01210  2-Oxocarboxylic acid metabolism
hsa01230  Biosynthesis of amino acids
hsa04146  Peroxisome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX59 Enasidenib
      D10901  Enasidenib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IDH2
     D10901  Enasidenib (USAN/INN)
Other DBs
CAS: 1446502-11-9
PubChem: 340650305
ChEBI: 145374
PDB-CCD: 69Q[PDBj]
KCF data

ATOM        33
            1   N5x N    12.7400  -18.2700
            2   C8y C    12.7400  -19.6700
            3   N5x N    13.9524  -20.3700
            4   C8y C    15.1649  -19.6700
            5   N5x N    15.1649  -18.2700
            6   C8y C    13.9524  -17.5700
            7   C8y C    13.9524  -16.1702
            8   C8x C    15.1480  -15.4797
            9   C8x C    15.1478  -14.0797
            10  C8x C    13.9353  -13.3799
            11  C8y C    12.7398  -14.0703
            12  N5x N    12.7399  -15.4703
            13  C1d C    11.5273  -13.3705
            14  X   F    10.3148  -12.6705
            15  X   F    10.8273  -14.5829
            16  X   F    12.2273  -12.1580
            17  N1b N    16.3960  -20.3810
            18  C8y C    17.6012  -19.6853
            19  C8x C    18.7835  -20.3681
            20  C8x C    19.9960  -19.6683
            21  N5x N    19.9962  -18.2683
            22  C8y C    18.8138  -17.5855
            23  C8x C    17.6013  -18.2853
            24  C1d C    18.8138  -16.1855
            25  X   F    18.8138  -14.7855
            26  X   F    17.4138  -16.1855
            27  X   F    20.2138  -16.1855
            28  N1b N    11.5276  -20.3700
            29  C1b C    10.3321  -19.6796
            30  C1d C     9.1447  -20.3651
            31  C1a C     7.9535  -19.6771
            32  O1a O     9.1445  -21.7698
            33  C1a C     7.9323  -21.0651
BOND        35
            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     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   11  13 1
            15   13  14 1
            16   13  15 1
            17   13  16 1
            18    4  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   22  24 1
            27   24  25 1
            28   24  26 1
            29   24  27 1
            30    2  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 1
            35   30  33 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (8)   

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