KEGG   DRUG: Telotristat ethylHelp
Entry
D09974                      Drug                                   

Name
Telotristat ethyl (USAN);
Xermelo (TN)
Product
Formula
C27H26ClF3N6O3
Exact mass
574.1707
Mol weight
574.982
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02809
Product (DG02809): D09974<US>
Efficacy
Antidiarrheal, Tryptophan hydroxylase inhibitor
Comment
Treatment of carcinoid syndrome diarrhea
Target
TPH [HSA:7166 121278] [KO:K00502]
  Pathway
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Other monooxygenases
    TPH
     D09974  Telotristat ethyl (USAN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09974
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09974
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09974
BRITE hierarchy
Other DBs
CAS: 1033805-22-9
PubChem: 135626695
ChEMBL: CHEMBL2105695
LigandBox: D09974
LinkDB All DBs
KCF data Show

ATOM        40
            1   C8y C    22.2600  -25.9000
            2   C8x C    22.2600  -27.3000
            3   C8x C    23.4500  -28.0000
            4   C8y C    24.7100  -27.3000
            5   C8y C    24.7100  -25.9000
            6   C8x C    23.4500  -25.2000
            7   C1c C    25.9000  -28.0000
            8   O2a O    27.0900  -27.3000
            9   C8y C    28.2800  -28.0000
            10  C1d C    25.9000  -29.4700
            11  X   F    24.7100  -30.1700
            12  X   F    27.0900  -30.1700
            13  X   F    25.9000  -30.8700
            14  N5x N    28.2800  -29.4700
            15  C8y C    29.5400  -30.1700
            16  N5x N    30.8000  -29.4700
            17  C8y C    30.8000  -28.0000
            18  C8x C    29.5400  -27.3000
            19  C8y C    31.9900  -27.3000
            20  C8x C    33.1800  -28.0000
            21  C8x C    34.4400  -27.3000
            22  C8y C    34.4400  -25.9000
            23  C8x C    33.2500  -25.2000
            24  C8x C    31.9900  -25.9000
            25  C1b C    35.6300  -25.2000
            26  C1c C    36.8200  -25.9000
            27  C7a C    38.0100  -25.2000
            28  O7a O    39.2000  -25.9000
            29  O6a O    38.0100  -23.8000
            30  N1a N    36.8200  -27.3000
            31  N4y N    25.9000  -25.2000
            32  C8x C    25.9000  -23.8000
            33  N5x N    27.2300  -25.6200
            34  C8y C    28.0700  -24.5000
            35  C8x C    27.2300  -23.3800
            36  C1a C    29.4700  -24.5000
            37  X   Cl   21.0700  -25.2000
            38  N1a N    29.5400  -31.5700
            39  C1b C    40.4181  -25.2099
            40  C1a C    41.5995  -25.9050
BOND        43
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 1 #Up
            11   10  11 1
            12   10  12 1
            13   10  13 1
            14    9  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19    9  18 1
            20   17  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   19  24 2
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2
            32   26  30 1 #Up
            33    5  31 1
            34   32  31 1
            35   31  33 1
            36   33  34 2
            37   34  35 1
            38   32  35 2
            39   34  36 1
            40    1  37 1
            41   15  38 1
            42   28  39 1
            43   39  40 1

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