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KEGG   
Entry
D11942                      Drug                                   
Name
Inavolisib (USAN/INN);
Itovebi (TN)
Product
Formula
C18H19F2N5O4
Exact mass
407.1405
Mol weight
407.37
Structure
Class
Antineoplastic
 DG03139  PI3K inhibitor
Remark
Product: D11942<US>
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
  Disease
Breast cancer (endocrine-resistant, PIK3CA mutated, HR positive, HER2 negative) [DS:H00031]
Target
PIK3CA [HSA:5290] [KO:K00922]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04662  B cell receptor signaling pathway
hsa05200  Pathways in cancer
Brite
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Phosphatidylinositol-3-Kinase (PI3K) Inhibitors
    Inavolisib
     D11942  Inavolisib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   D11942  Inavolisib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CA
     D11942  Inavolisib (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11942
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11942
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11942
Other DBs
CAS: 2060571-02-8
PubChem: 497620355
PDB-CCD: X3N[PDBj]
LinkDB
KCF data

ATOM        29
            1   C8x C    16.6600  -17.0800
            2   C8y C    16.6600  -18.4800
            3   C8x C    17.9200  -19.1800
            4   C8y C    19.1800  -18.4800
            5   C8y C    19.1800  -17.0800
            6   C8x C    17.9200  -16.3800
            7   C8y C    20.3000  -16.1700
            8   N4y N    21.6300  -16.5200
            9   C1x C    22.3300  -17.7800
            10  C1x C    21.6300  -19.0400
            11  O2x O    20.3000  -19.3200
            12  N1b N    15.4700  -19.1800
            13  C8x C    22.4700  -15.3300
            14  C8y C    21.4900  -14.2800
            15  N5x N    20.2300  -14.7700
            16  N1y N    21.9100  -12.8800
            17  C7x C    23.2400  -12.3900
            18  O7x O    23.1700  -10.9900
            19  C1x C    21.8400  -10.6400
            20  C1y C    21.0000  -11.8300
            21  O6a O    24.4300  -13.1600
            22  C1c C    19.6000  -11.9000
            23  X   F    18.8300  -10.7100
            24  X   F    18.9700  -13.1600
            25  C1c C    14.2800  -18.4800
            26  C5a C    13.0900  -19.1800
            27  C1a C    14.2800  -17.0800
            28  N1a N    11.9000  -18.4800
            29  O5a O    13.0900  -20.5800
BOND        32
            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     8   9 1
            8     9  10 1
            9     7   8 1
            10    4  11 1
            11    5   7 1
            12   10  11 1
            13    2  12 1
            14    8  13 1
            15   13  14 2
            16   14  15 1
            17    7  15 2
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   17  21 2
            24   20  16 1
            25   20  22 1 #Down
            26   22  23 1
            27   22  24 1
            28   12  25 1
            29   25  26 1
            30   25  27 1 #Down
            31   26  28 1
            32   26  29 2

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