KEGG   DRUG: AfuresertibHelp
Entry
D10381                      Drug                                   

Name
Afuresertib (USAN)
Formula
C18H17Cl2FN4OS
Exact mass
426.0484
Mol weight
427.3232
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01408
Efficacy
Antineoplastic, AKT serine/threonine kinase inhibitor
Comment
Treatment of hematologic cancers
Target
AKT (PKB) [HSA:207 208 10000] [KO:K04456]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04210  Apoptosis
hsa05200  Pathways in cancer
hsa05205  Proteoglycans in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    AKT (PKB)
     D10381  Afuresertib (USAN)
BRITE hierarchy
Other DBs
CAS: 1047644-62-1
PubChem: 172232474
ChEMBL: CHEMBL2219422
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    10.9207  -14.7718
            2   N5x N    10.9207  -16.1719
            3   N4y N    12.2523  -16.6046
            4   C8y C    13.0753  -15.4718
            5   C8y C    12.2523  -14.3391
            6   C8y C    14.4911  -15.4718
            7   C8x C    15.3141  -16.6046
            8   C8y C    16.6457  -16.1729
            9   S2x S    16.6457  -14.7718
            10  C8y C    15.3141  -14.3391
            11  C5a C    17.8412  -16.9258
            12  N1b N    19.0705  -16.2778
            13  O5a O    17.8570  -18.3353
            14  C1c C    20.2510  -17.0214
            15  C1b C    21.4571  -16.3864
            16  C8y C    22.6482  -17.1372
            17  C8x C    22.6630  -18.5494
            18  C8x C    23.7773  -19.2963
            19  C8x C    25.0863  -18.6441
            20  C8y C    25.0715  -17.2318
            21  C8x C    23.8871  -16.4850
            22  X   F    26.3072  -16.5814
            23  C1b C    20.1970  -18.4118
            24  X   Cl   12.6812  -13.0194
            25  X   Cl   14.8869  -13.0239
            26  C1a C    12.6812  -17.9243
            27  N1a N    21.4064  -19.1743
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    6  10 2
            12    8  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   20  22 1
            25   14  23 1 #Up
            26    5  24 1
            27   10  25 1
            28    3  26 1
            29   23  27 1

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