KEGG   DRUG: DuvelisibHelp
Entry
D10555                      Drug                                   

Name
Duvelisib (USAN/INN)
Product
Formula
C22H17ClN6O
Exact mass
416.1152
Mol weight
416.863
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Product: D10555<US>
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3CD [HSA:5293] [KO:K00922]
PIK3CG [HSA:5294] [KO:K21289]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CD
     D10555  Duvelisib (USAN/INN) <US>
    PIK3CG
     D10555  Duvelisib (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10555
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10555
BRITE hierarchy
Other DBs
CAS: 1201438-56-3
PubChem: 254741517
ChEMBL: CHEMBL3039502
LinkDB All DBs
KCF data Show

ATOM        30
            1   N5x N    18.8129  -19.6460
            2   C8x C    18.8129  -21.0442
            3   N5x N    20.0237  -21.7432
            4   C8y C    21.2346  -21.0442
            5   C8y C    21.2346  -19.6460
            6   C8y C    20.0237  -18.9470
            7   N5x N    22.5643  -21.4762
            8   C8x C    23.3861  -20.3451
            9   N4x N    22.5643  -19.2140
            10  N1b N    20.0237  -17.5490
            11  C1c C    18.7961  -16.8401
            12  C1a C    17.5938  -17.5342
            13  C8y C    18.7963  -15.4517
            14  C8x C    20.0197  -14.7456
            15  C8y C    20.0198  -13.3474
            16  C8y C    18.8090  -12.6483
            17  C8y C    17.5858  -13.3544
            18  N4y N    17.5856  -14.7526
            19  C8y C    16.3517  -15.4651
            20  C8x C    15.1459  -14.7691
            21  C8x C    13.9351  -15.4683
            22  C8x C    13.9352  -16.8664
            23  C8x C    15.1410  -17.5624
            24  C8x C    16.3518  -16.8632
            25  C8x C    21.2307  -12.6485
            26  C8x C    21.2308  -11.2503
            27  C8x C    20.0201  -10.5512
            28  C8y C    18.8092  -11.2501
            29  O5x O    16.3519  -12.6416
            30  X   Cl   17.6043  -10.5544
BOND        34
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 1 #Up
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   15  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   16  28 2
            33   17  29 2
            34   28  30 1

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