KEGG   DRUG: Parsaclisib hydrochloride
Entry
D11506                      Drug                                   
Name
Parsaclisib hydrochloride (JAN/USAN)
Formula
C20H22ClFN6O2. HCl
Exact mass
468.1244
Mol weight
469.34
Structure
Simcomp
Class
Antineoplastic
 DG03139  PI3K inhibitor
Remark
ATC code: L01EM05
Chemical structure group: DG03025
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3CD [HSA:5293] [KO:K00922]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04662  B cell receptor signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EM Phosphatidylinositol-3-kinase (Pi3K) inhibitors
     L01EM05 Parsaclisib
      D11506  Parsaclisib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG03025  Parsaclisib
    D11506  Parsaclisib hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CD
     D11506  Parsaclisib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG03025  Parsaclisib
Other DBs
CAS: 1995889-48-9
PubChem: 384585482
LinkDB
KCF data

ATOM        31
            1   N5x N    11.9862  -14.2157
            2   C8x C    11.9862  -15.6094
            3   N5x N    13.1708  -16.3062
            4   C8y C    14.4251  -15.6094
            5   C8y C    14.4251  -14.2157
            6   C8y C    13.1708  -13.5189
            7   N4y N    15.7491  -16.0275
            8   N5x N    16.5156  -14.9125
            9   C8y C    15.7491  -13.7976
            10  C1c C    16.9337  -16.7243
            11  C8y C    18.1183  -16.0275
            12  C8y C    19.3726  -16.7243
            13  C8y C    20.5575  -15.9578
            14  C8y C    20.5572  -14.5641
            15  C8y C    19.3726  -13.8673
            16  C8x C    18.1183  -14.6338
            17  C1a C    16.9337  -18.1180
            18  N1a N    13.1708  -12.0555
            19  C1a C    16.2368  -12.4736
            20  X   Cl   19.3029  -12.5433
            21  X   F    21.7418  -13.8673
            22  O2a O    19.3029  -18.1180
            23  C1y C    21.7425  -16.7215
            24  C1x C    21.7425  -18.1221
            25  N1x N    23.1015  -18.5382
            26  C5x C    23.9128  -17.4288
            27  C1x C    23.0461  -16.2916
            28  O5x O    25.3203  -17.3594
            29  C1b C    20.5572  -18.8148
            30  C1a C    20.5575  -20.2781
            31  X   Cl   25.4100  -20.7200
BOND        33
            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     7   8 1
            9     8   9 2
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   10  17 1 #Down
            20    6  18 1
            21    9  19 1
            22   15  20 1
            23   14  21 1
            24   12  22 1
            25   23  13 1 #Up
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   23  27 1
            31   26  28 2
            32   22  29 1
            33   29  30 1

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