KEGG   DRUG: Onalespib lactate
Entry
D11766                      Drug                                   
Name
Onalespib lactate (USAN)
Formula
C24H31N3O3. C3H6O3
Exact mass
499.2682
Mol weight
499.5992
Structure
Remark
Chemical structure group: DG03099
Efficacy
Antineoplastic, Hsp 90 inhibitor
Target
HSP90 [HSA:3320 3326 7184] [KO:K04079 K09487]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04915  Estrogen signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Signaling molecules
   Chaperone and folding catalyst
    HSP90
     D11766  Onalespib lactate (USAN)
Other DBs
CAS: 1019889-35-0
PubChem: 405226632
KCF data

ATOM        36
            1   C8y C    13.1921  -13.9596
            2   C8y C    13.1921  -15.3556
            3   C8x C    14.3786  -16.0536
            4   C8y C    15.6350  -15.3556
            5   C8y C    15.6350  -13.9596
            6   C8x C    14.3786  -13.2617
            7   C1c C    12.0055  -13.2617
            8   C1a C    12.0055  -11.8657
            9   C1a C    10.7491  -13.9596
            10  O1a O    12.0055  -16.0536
            11  O1a O    16.8216  -16.0536
            12  C5a C    16.8216  -13.2617
            13  O5a O    16.8216  -11.8657
            14  N1y N    18.0081  -13.9596
            15  C1x C    18.1477  -15.3556
            16  C8y C    19.5437  -15.6348
            17  C8y C    20.2417  -14.3784
            18  C1x C    19.3343  -13.3315
            19  C8x C    20.2417  -16.8214
            20  C8x C    21.6377  -16.8214
            21  C8y C    22.3356  -15.6348
            22  C8x C    21.6377  -14.3784
            23  C1b C    23.7316  -15.6348
            24  N1y N    24.4296  -16.8214
            25  C1x C    23.7316  -18.0079
            26  C1x C    24.4296  -19.2643
            27  N1y N    25.8255  -19.2643
            28  C1x C    26.5235  -18.0079
            29  C1x C    25.8255  -16.8214
            30  C1a C    26.5235  -20.4509
            31  O1a O    23.4500  -12.2500
            32  C1c C    24.6624  -12.9500
            33  C6a C    25.8579  -12.2596
            34  C1a C    24.6625  -14.3498
            35  O6a O    27.0453  -12.9451
            36  O6a O    25.8580  -10.8503
BOND        38
            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 1
            9     7   9 1
            10    2  10 1
            11    4  11 1
            12    5  12 1
            13   12  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   14  18 1
            20   16  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   21  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   24  29 1
            33   27  30 1
            34   32  31 1 #Down
            35   32  33 1
            36   32  34 1
            37   33  35 1
            38   33  36 2

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (5)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (3)   
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