KEGG   DRUG: ParsaclisibHelp
Entry
D11437                      Drug                                   

Name
Parsaclisib (USAN/INN)
Formula
C20H22ClFN6O2
Exact mass
432.1477
Mol weight
432.8791
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
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
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CD
     D11437  Parsaclisib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1426698-88-5
PubChem: 384585414
LinkDB All DBs
KCF data Show

ATOM        30
            1   N5x N     6.8600  -15.4000
            2   C8x C     6.8600  -16.8000
            3   N5x N     8.0500  -17.5000
            4   C8y C     9.3100  -16.8000
            5   C8y C     9.3100  -15.4000
            6   C8y C     8.0500  -14.7000
            7   N4y N    10.6400  -17.2200
            8   N5x N    11.4100  -16.1000
            9   C8y C    10.6400  -14.9800
            10  C1c C    11.8300  -17.9200
            11  C8y C    13.0200  -17.2200
            12  C8y C    14.2381  -17.9101
            13  C8y C    15.3748  -17.2003
            14  C8y C    15.4334  -15.8003
            15  C8y C    14.2153  -15.1102
            16  C8x C    13.0086  -15.8200
            17  C1a C    11.8300  -19.3200
            18  N1a N     8.0328  -13.3001
            19  C1a C    11.0954  -13.6561
            20  X   Cl   14.2040  -13.7200
            21  X   F    16.6067  -15.1102
            22  O2a O    14.1984  -19.3188
            23  C1y C    16.6121  -17.9205
            24  C1x C    16.7532  -19.3105
            25  N1x N    18.1187  -19.6058
            26  C5x C    18.8215  -18.3984
            27  C1x C    17.8904  -17.3569
            28  O5x O    20.2215  -18.2563
            29  C1b C    15.3996  -20.0582
            30  C1a C    15.3658  -21.4896
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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