KEGG   DRUG: CopanlisibHelp
Entry
D10867                      Drug                                   

Name
Copanlisib (USAN/INN)
Product
Formula
C23H28N8O4
Exact mass
480.2234
Mol weight
480.5196
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Enzyme substrate
 DG01891  CYP1A1 substrate
Remark
Chemical structure group: DG01926
Product (DG01926): D10867<US>
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3CA [HSA:5290] [KO:K00922]
PIK3CD [HSA:5293] [KO:K00922]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; CYP1A1 [HSA:1543]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CA
     D10867  Copanlisib (USAN/INN) <US>
    PIK3CD
     D10867  Copanlisib (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10867
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10867
BRITE hierarchy
Other DBs
CAS: 1032568-63-0
PubChem: 319902667
ChEMBL: CHEMBL3218576
PDB-CCD: 6E2[PDBj]
LinkDB All DBs
KCF data Show

ATOM        35
            1   N5x N    21.1987  -15.1112
            2   C8y C    21.1987  -16.5104
            3   C8y C    22.3880  -17.2100
            4   C8y C    23.6472  -16.5104
            5   N4y N    23.6472  -15.1112
            6   C8y C    22.3880  -14.4116
            7   N2x N    24.9765  -16.9302
            8   C1x C    25.7460  -15.8108
            9   C1x C    24.9765  -14.6915
            10  C8y C    20.0094  -17.2100
            11  C8y C    20.0094  -18.6092
            12  C8x C    21.1987  -19.3088
            13  C8x C    22.3880  -18.6092
            14  O2a O    18.8200  -16.5104
            15  C1a C    17.5608  -17.2100
            16  O2a O    18.8200  -19.3088
            17  C1b C    17.5608  -18.6092
            18  C1b C    16.3715  -19.3088
            19  C1b C    15.1822  -18.6092
            20  N1y N    13.9928  -19.3088
            21  C1x C    12.8035  -18.6092
            22  C1x C    11.5443  -19.3088
            23  O2x O    11.5443  -20.7080
            24  C1x C    12.7336  -21.4076
            25  C1x C    13.9928  -20.7080
            26  N1b N    22.3880  -13.0124
            27  C5a C    21.1987  -12.3128
            28  C8y C    20.0094  -13.0124
            29  O5a O    21.1987  -10.9137
            30  C8x C    18.8200  -12.3128
            31  N5x N    17.4908  -13.0124
            32  C8y C    17.4908  -14.4116
            33  N5x N    18.7501  -15.1112
            34  C8x C    20.0094  -14.4116
            35  N1a N    16.3015  -15.1112
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    2  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    3  13 2
            16   10  14 1
            17   14  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   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29    6  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   28  34 1
            39   32  35 1

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