KEGG   DRUG: Sonidegib phosphateHelp
Entry
D10729                      Drug                                   

Name
Sonidegib phosphate (USAN);
Sonidegib diphosphate;
Odomzo (TN)
Product
Formula
C26H26F3N3O3. 2H3PO4
Exact mass
681.1464
Mol weight
681.4885
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01566  Smoothened (Smo) antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: L01XX48
Chemical structure group: DG01854
Product (DG01854): D10729<US>
Efficacy
Antineoplastic, Smoothened receptor antagonist
  Disease
Basal cell carcinoma [DS:H00039]
Target
SMO [HSA:6608] [KO:K06226]
  Pathway
hsa04340  Hedgehog signaling pathway
hsa05200  Pathways in cancer
hsa05217  Basal cell carcinoma
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
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
     L01XX48 Sonidegib
      D10729  Sonidegib phosphate (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Sonidegib
    D10729  Sonidegib phosphate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Frizzled / Smoothened family
   Smoothened
    SMO
     D10729  Sonidegib phosphate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10729
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10729
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10729
BRITE hierarchy
Other DBs
CAS: 1218778-77-8
PubChem: 254741690
ChEBI: 90864
ChEMBL: CHEMBL3137317
LinkDB All DBs
KCF data Show

ATOM        45
            1   O2x O    11.9000  -14.7000
            2   C1y C    11.9000  -16.1000
            3   C1x C    13.1600  -16.8000
            4   N1y N    14.3500  -16.1000
            5   C1x C    14.3500  -14.7000
            6   C1y C    13.1600  -13.9300
            7   C1a C    13.1600  -12.5300
            8   C1a C    10.7100  -16.8000
            9   C8y C    15.6100  -16.8000
            10  N5x N    15.6100  -18.2000
            11  C8x C    16.8000  -18.9000
            12  C8y C    17.9900  -18.2000
            13  C8x C    17.9900  -16.8000
            14  C8x C    16.8000  -16.1000
            15  N1b N    19.2500  -18.9000
            16  C5a C    20.4400  -18.2000
            17  C8y C    21.6300  -18.9000
            18  O5a O    20.4400  -16.8000
            19  C8x C    21.6300  -20.3000
            20  C8x C    22.8200  -21.0000
            21  C8x C    24.0800  -20.3000
            22  C8y C    24.0800  -18.9000
            23  C8y C    22.8200  -18.2000
            24  C1a C    22.8200  -16.8000
            25  C8y C    25.2700  -18.2000
            26  C8x C    26.4600  -18.8300
            27  C8x C    27.6500  -18.1300
            28  C8y C    27.6500  -16.7300
            29  C8x C    26.4600  -16.1000
            30  C8x C    25.2700  -16.8000
            31  O2a O    28.9100  -16.0300
            32  C1d C    30.1000  -16.7300
            33  X   F    31.2900  -16.1000
            34  X   F    30.1000  -18.2000
            35  X   F    31.2900  -17.4300
            36  P1b P    36.1900  -19.2500
            37  O1c O    36.1900  -17.8500
            38  O1c O    37.5900  -19.2500
            39  O1c O    34.7900  -19.2500
            40  O1c O    36.1900  -20.6500
            41  P1b P    36.1900  -19.2500
            42  O1c O    36.1900  -17.8500
            43  O1c O    37.5900  -19.2500
            44  O1c O    34.7900  -19.2500
            45  O1c O    36.1900  -20.6500
BOND        46
            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     6   7 1 #Down
            8     2   8 1 #Down
            9     4   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   17  23 1
            26   23  24 1
            27   22  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   28  31 1
            35   31  32 1
            36   32  33 1
            37   32  34 1
            38   32  35 1
            39   36  37 2
            40   36  38 1
            41   36  39 1
            42   36  40 1
            43   41  42 2
            44   41  43 1
            45   41  44 1
            46   41  45 1
BRACKET     1    33.6000  -21.2800   33.6000  -17.0800
            1    38.7800  -17.0800   38.7800  -21.2800
            1  2
 ORIGINAL  1   36  37  38  39  40
 REPEAT    1   41  42  43  44  45

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