KEGG   DRUG: Taltirelin hydrate
Entry
D01925                      Drug                                   
Name
Taltirelin hydrate (JP18);
Ceredist (TN)
Formula
C17H23N7O5. 4H2O
Exact mass
477.2183
Mol weight
477.4695
Structure
Simcomp
Remark
Therapeutic category: 1190
Product: D01925<JP>
Efficacy
Thyrotropin-releasing hormone receptor agonist
Comment
Protirelin [DR:D00176] derivative
Target
TRHR [HSA:7201] [KO:K04282]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D01925  Taltirelin hydrate (JP18)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thyrotropin-releasing hormone
    TRHR
     D01925  Taltirelin hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01925  Taltirelin hydrate
  D01925  Taltirelin tablets
  D01925  Taltirelin orally disintegrating tablets
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01925
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01925
Other DBs
CAS: 201677-75-0
PubChem: 7848987
ChEBI: 157598
LigandBox: D01925
KCF data

ATOM        33
            1   O0  O    40.1647  -16.1057
            2   C8y C    32.5372  -14.9244
            3   C8x C    33.9309  -14.9002
            4   N5x N    34.3608  -13.5978
            5   C8x C    33.2329  -12.7797
            6   N4x N    32.1060  -13.5994
            7   C1x C    35.5832  -15.6951
            8   C1x C    36.0192  -17.0260
            9   C1y C    34.8831  -17.8521
            10  N1y N    33.7472  -17.0260
            11  C1x C    34.1829  -15.6951
            12  C5a C    32.5350  -17.7249
            13  C1c C    31.3257  -17.0246
            14  N1b N    30.1162  -17.7249
            15  C5a C    28.9068  -17.0246
            16  C1y C    27.6974  -17.7249
            17  N1x N    26.4863  -17.0275
            18  C5x C    25.2769  -17.7277
            19  N1y N    25.2786  -19.1252
            20  C5x C    26.4897  -19.8225
            21  C1x C    27.6991  -19.1223
            22  O5a O    28.9068  -15.6242
            23  C1b C    31.3257  -15.6242
            24  C5a C    34.8830  -19.2525
            25  O5a O    33.6703  -19.9526
            26  N1a N    36.0957  -19.9528
            27  O5a O    32.5337  -19.1252
            28  O5x O    24.0632  -17.0291
            29  C1a C    24.0666  -19.8269
            30  O5x O    26.4914  -21.2228
            31  O0  O    40.1647  -16.1057
            32  O0  O    40.1647  -16.1057
            33  O0  O    40.1647  -16.1057
BOND        31
            1    14  15 1
            2     4   5 2
            3    16  15 1 #Down
            4     5   6 1
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10  11 1
            9    16  17 1
            10   17  18 1
            11   18  19 1
            12   19  20 1
            13   20  21 1
            14   21  16 1
            15   11   7 1
            16   15  22 2
            17    6   2 1
            18   13  23 1 #Up
            19   23   2 1
            20   10  12 1
            21    9  24 1 #Up
            22   24  25 2
            23   12  13 1
            24   24  26 1
            25    2   3 2
            26   12  27 2
            27   13  14 1
            28   18  28 2
            29    3   4 1
            30   19  29 1
            31   20  30 2
BRACKET     1    38.0800  -17.1500   38.0800  -15.1900
            1    40.8100  -15.1900   40.8100  -17.1500
            1  4
 ORIGINAL  1    1
 REPEAT    1   31  32  33

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