KEGG   DRUG: Idelalisib
Entry
D10560                      Drug                                   
Name
Idelalisib (JAN/USAN/INN);
Zydelig (TN)
Product
ZYDELIG (Gilead Sciences)
Formula
C22H18FN7O
Exact mass
415.1557
Mol weight
415.423
Structure
Simcomp
Class
Antineoplastic
 DG03139  PI3K inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
 DG02924  UGT substrate
  DG03182  UGT1A4 substrate
Remark
ATC code: L01EM01
Product: D10560<US>
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
  Disease
Chronic lymphocytic leukemia [DS:H00005]
Target
PIK3CD [HSA:5293] [KO:K00922]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04210  Apoptosis
hsa04662  B cell receptor signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; UGT1A4 [HSA:54657]
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
     L01EM01 Idelalisib
      D10560  Idelalisib (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Idelalisib
    D10560  Idelalisib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   D10560  Idelalisib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D10560  Idelalisib
  DG02924  UGT substrate
   DG03182  UGT1A4 substrate
    D10560  Idelalisib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CD
     D10560  Idelalisib (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10560
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10560
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10560
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10560
Other DBs
CAS: 870281-82-6
PubChem: 254741522
PDB-CCD: 40L[PDBj]
LinkDB
KCF data

ATOM        31
            1   N5x N    21.2100  -20.2300
            2   C8x C    21.2100  -21.6300
            3   N5x N    22.4000  -22.3300
            4   C8y C    23.5900  -21.6300
            5   C8y C    23.5900  -20.2300
            6   C8y C    22.4000  -19.5300
            7   N5x N    24.9200  -22.0500
            8   C8x C    25.7600  -20.9300
            9   N4x N    24.9200  -19.7400
            10  N1b N    22.4000  -18.1300
            11  C1c C    21.2100  -17.4300
            12  C1b C    19.9500  -18.0600
            13  C8y C    21.2100  -16.0300
            14  N5x N    22.4000  -15.3300
            15  C8y C    22.4000  -13.9300
            16  C8y C    21.2100  -13.2300
            17  C8y C    19.9500  -13.9300
            18  N4y N    19.9500  -15.3300
            19  C8y C    18.7600  -16.0300
            20  C8x C    17.5000  -15.3300
            21  C8x C    16.3100  -16.0300
            22  C8x C    16.3100  -17.4300
            23  C8x C    17.5000  -18.1300
            24  C8x C    18.7600  -17.4300
            25  C8x C    23.5900  -13.2300
            26  C8x C    23.5900  -11.8300
            27  C8x C    22.4000  -11.1300
            28  C8y C    21.2100  -11.8300
            29  O5x O    18.7600  -13.2300
            30  X   F    19.9500  -11.1300
            31  C1a C    19.9500  -19.4600
BOND        35
            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   11  10 1 #Up
            13   11  12 1
            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
            35   12  31 1

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