KEGG   DRUG: Afuresertib hydrochlorideHelp
Entry
D10382                      Drug                                   

Name
Afuresertib hydrochloride (USAN)
Formula
C18H17Cl2FN4OS. HCl
Exact mass
462.0251
Mol weight
463.7841
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)
     D10382  Afuresertib hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 1047645-82-8
PubChem: 172232475
ChEMBL: CHEMBL2219423
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    10.9334  -14.7857
            2   N5x N    10.9334  -16.1871
            3   N4y N    12.2647  -16.6076
            4   C8y C    13.1056  -15.4865
            5   C8y C    12.2647  -14.3653
            6   C8y C    14.5071  -15.4865
            7   C8x C    15.3480  -16.6076
            8   C8y C    16.6793  -16.1871
            9   S2x S    16.6793  -14.7857
            10  C8y C    15.3480  -14.3653
            11  C5a C    17.8705  -16.9580
            12  N1b N    19.0617  -16.3273
            13  O5a O    17.8704  -18.3594
            14  C1c C    20.2530  -17.0280
            15  C1b C    21.5143  -16.3973
            16  C8y C    22.7055  -17.1682
            17  C8x C    22.7054  -18.5696
            18  C8x C    23.8267  -19.3404
            19  C8x C    25.0878  -18.6397
            20  C8y C    25.0879  -17.2382
            21  C8x C    23.8967  -16.4675
            22  X   F    26.3492  -16.6076
            23  C1b C    20.2530  -18.4295
            24  X   Cl   12.6852  -13.0339
            25  X   Cl   14.9275  -13.0339
            26  C1a C    12.6852  -17.9390
            27  N1a N    21.4442  -19.2002
            28  X   Cl   24.6722  -13.2480
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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