KEGG   DRUG: ApitolisibHelp
Entry
D10543                      Drug                                   

Name
Apitolisib (USAN/INN)
Formula
C23H30N8O3S
Exact mass
498.2162
Mol weight
498.6011
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3C [HSA:5290 5291 5293] [KO:K00922]
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D10543  Apitolisib (USAN/INN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C
     D10543  Apitolisib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1032754-93-0
PubChem: 254741505
ChEMBL: CHEMBL1922094
PDB-CCD: 980[PDBj]
LinkDB All DBs
KCF data Show

ATOM        35
            1   N5x N    14.2100  -18.6200
            2   C8y C    14.2100  -20.0200
            3   N5x N    15.4000  -20.7200
            4   C8x C    16.5900  -20.0200
            5   C8y C    16.5900  -18.6200
            6   C8x C    15.4000  -17.9900
            7   C8y C    17.8500  -17.9200
            8   N5x N    19.0400  -18.6200
            9   C8y C    20.2300  -17.9200
            10  C8y C    20.2300  -16.5200
            11  C8y C    19.0400  -15.8200
            12  N5x N    17.8500  -16.5200
            13  C8y C    21.5600  -18.3400
            14  C8y C    22.4000  -17.2200
            15  S2x S    21.5600  -16.1000
            16  N1y N    19.0400  -14.4900
            17  C1x C    20.3000  -13.7200
            18  C1x C    20.3000  -12.3200
            19  O2x O    19.1100  -11.6200
            20  C1x C    17.8500  -12.3900
            21  C1x C    17.8500  -13.7900
            22  C1b C    23.8700  -17.2200
            23  N1y N    24.5000  -16.0300
            24  C1x C    25.9700  -16.0300
            25  C1x C    26.6700  -14.8400
            26  N1y N    25.9700  -13.6500
            27  C1x C    24.5000  -13.6500
            28  C1x C    23.8000  -14.8400
            29  C1a C    21.9880  -19.6730
            30  N1a N    12.9947  -20.7151
            31  C5a C    26.6651  -12.4347
            32  C1c C    28.0697  -12.4289
            33  O5a O    25.9722  -11.2463
            34  C1a C    28.7885  -13.6616
            35  O1a O    28.7514  -11.2370
BOND        39
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   10  15 1
            18   11  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   14  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   23  28 1
            33   13  29 1
            34    2  30 1
            35   26  31 1
            36   31  32 1
            37   31  33 2
            38   32  34 1 #Up
            39   32  35 1

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