KEGG   DRUG: Uprosertib
Entry
D10674                      Drug                                   

Name
Uprosertib (USAN/INN)
Formula
C18H16Cl2F2N4O2
Exact mass
428.0618
Mol weight
429.248
Structure
Simcomp
Efficacy
Antineoplastic, AKT serine/threonine kinase inhibitor
Target
AKT (PKB) [HSA:207 208 10000] [KO:K04456]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    AKT (PKB)
     D10674  Uprosertib (USAN/INN)
Other DBs
CAS: 1047634-65-0
PubChem: 254741635
ChEMBL: CHEMBL3137336
LinkDB
KCF data

ATOM        28
            1   C8y C    22.7422  -16.5388
            2   C8x C    22.7422  -17.9344
            3   C8x C    23.9508  -18.6321
            4   C8y C    25.1594  -17.9344
            5   C8y C    25.1594  -16.5388
            6   C8x C    23.9508  -15.8411
            7   X   F    26.3679  -18.6321
            8   X   F    26.3679  -15.8411
            9   C1b C    21.5337  -15.8411
            10  C1c C    20.3251  -16.5388
            11  N1b N    19.1165  -15.8411
            12  C5a C    17.9080  -16.5388
            13  C8y C    16.7255  -15.9393
            14  O2x O    16.5260  -14.5554
            15  C8y C    15.1482  -14.3175
            16  C8y C    14.4962  -15.5543
            17  C8x C    15.4710  -16.5566
            18  C8y C    13.1366  -15.6630
            19  C8y C    12.0813  -14.6915
            20  C8x C    10.8312  -15.3949
            21  N5x N    11.1139  -16.8011
            22  N4y N    12.5388  -16.9668
            23  X   Cl   12.4424  -13.3435
            24  X   Cl   14.1615  -13.3307
            25  C1a C    13.5255  -17.9536
            26  O5a O    17.9080  -17.9344
            27  C1b C    20.3139  -18.1668
            28  N1a N    21.7117  -18.9553
BOND        30
            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     4   7 1
            8     5   8 1
            9     1   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 2
            17   16  17 1
            18   13  17 2
            19   16  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   18  22 1
            25   19  23 1
            26   15  24 1
            27   22  25 1
            28   12  26 2
            29   10  27 1 #Up
            30   27  28 1

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