KEGG   DRUG: MetrenperoneHelp
Entry
D05015                      Drug                                   

Name
Metrenperone (USAN/INN)
Formula
C24H26FN3O2
Exact mass
407.2009
Mol weight
407.4805
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antimyopathic (veterinary)
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2
     D05015  Metrenperone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 81043-56-3
PubChem: 47206742
ChEMBL: CHEMBL2104852
LigandBox: D05015
NIKKAJI: J33.110D
KCF data Show

ATOM        30
            1   C8y C    32.3400  -20.8600
            2   N4y N    32.3400  -19.4600
            3   C8x C    33.5300  -18.7600
            4   C8y C    34.7900  -19.4600
            5   C8x C    34.7900  -20.8600
            6   C8x C    33.5300  -21.5600
            7   N5x N    31.0800  -21.5600
            8   C8y C    29.8900  -20.8600
            9   C8y C    29.8900  -19.4600
            10  C8y C    31.0800  -18.7600
            11  O5x O    31.0800  -17.3600
            12  C1a C    28.7000  -21.5600
            13  C1b C    28.6300  -18.7600
            14  C1b C    27.4400  -19.4600
            15  N1y N    26.2500  -18.7600
            16  C1x C    25.0600  -19.4600
            17  C1x C    23.8000  -18.7600
            18  C1y C    23.8000  -17.3600
            19  C1x C    25.0600  -16.6600
            20  C1x C    26.2500  -17.3600
            21  C5a C    22.6100  -16.6600
            22  C1a C    35.9800  -18.7600
            23  C8y C    21.3500  -17.3600
            24  O5a O    22.6100  -15.3300
            25  C8x C    21.3500  -18.7600
            26  C8x C    20.1600  -19.4600
            27  C8y C    18.9700  -18.7600
            28  C8x C    18.9700  -17.3600
            29  C8x C    20.1600  -16.6600
            30  X   F    17.7800  -19.4600
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 1
            12   10  11 2
            13    8  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   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1
            24    4  22 1
            25   21  23 1
            26   21  24 2
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   23  29 1
            33   27  30 1

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