KEGG   DRUG: IdelalisibHelp
Entry
D10560                      Drug                                   

Name
Idelalisib (JAN/USAN/INN);
Zydelig (TN)
Product
Formula
C22H18FN7O
Exact mass
415.1557
Mol weight
415.423
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
 DG02924  UGT substrate
Remark
ATC code: L01XX47
Product: D10560<US>
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
  Disease
Chronic lymphocytic leukemia [DS:H00005]
Follicular B-cell non-Hodgkin lymphoma [DS:H01613]
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
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX47 Idelalisib
      D10560  Idelalisib (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Idelalisib
    D10560  Idelalisib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CD
     D10560  Idelalisib (JAN/USAN/INN) <US>
Antineoplastics [br08340.html]
 D10560
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
BRITE hierarchy
Other DBs
CAS: 870281-82-6
PubChem: 254741522
ChEMBL: CHEMBL2216870
PDB-CCD: 40L[PDBj]
LinkDB All DBs
KCF data Show

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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