KEGG   DRUG: BimiralisibHelp
Entry
D11440                      Drug                                   

Name
Bimiralisib (USAN/INN)
Formula
C17H20F3N7O2
Exact mass
411.1631
Mol weight
411.3816
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3C [HSA:5290 5291 5293] [KO:K00922]
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04150  mTOR signaling 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
     D11440  Bimiralisib (USAN/INN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C
     D11440  Bimiralisib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1225037-39-7
PubChem: 384585417
ChEMBL: CHEMBL4084907
PDB-CCD: A3W[PDBj]
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    16.8322  -11.7335
            2   C1x C    16.8322  -13.1304
            3   N1y N    18.0195  -13.8288
            4   C1x C    19.2766  -13.1304
            5   C1x C    19.2766  -11.7335
            6   O2x O    18.0195  -11.0351
            7   C8y C    18.0195  -15.2256
            8   N5x N    16.8322  -15.9241
            9   C8y C    16.8322  -17.3209
            10  N5x N    18.0195  -18.0193
            11  C8y C    19.2766  -17.3209
            12  N5x N    19.2766  -15.9241
            13  N1y N    15.6448  -18.0193
            14  C1x C    14.4575  -17.3209
            15  C1x C    13.2004  -18.0193
            16  O2x O    13.2004  -19.4162
            17  C1x C    14.3877  -20.1146
            18  C1x C    15.6448  -19.4162
            19  C8y C    20.4640  -18.0193
            20  C8y C    20.4640  -19.4162
            21  C8x C    21.7211  -20.1146
            22  C8y C    22.9085  -19.4162
            23  N5x N    22.9085  -18.0193
            24  C8x C    21.7211  -17.3209
            25  C1d C    19.2766  -20.1146
            26  X   F    18.5782  -18.9273
            27  X   F    19.9751  -21.3019
            28  X   F    18.0195  -20.8130
            29  N1a N    24.0958  -20.1146
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   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 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   11  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   20  25 1
            29   25  26 1
            30   25  27 1
            31   25  28 1
            32   22  29 1

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