KEGG   DRUG: Resomelagon acetate
Entry
D13178                      Drug                                   
Name
Resomelagon acetate (USAN)
Formula
C14H14N6O2. C2H4O2
Exact mass
358.1390
Mol weight
358.35
Structure
Remark
Chemical structure group: DG03362
Efficacy
Anti-inflammatory, Melanocortin receptor biased agonist
Comment
Treatment of rheumatoid arthritis
Target
MC1R [HSA:4157] [KO:K04199]
MC3R [HSA:4159] [KO:K04201]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04081  Hormone signaling
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Melanocortin
    MC1R
     D13178  Resomelagon acetate (USAN)
Other DBs
CAS: 1809420-72-1
LinkDB
KCF data

ATOM        26
            1   C8y C    16.6597  -14.9727
            2   C8y C    16.6597  -16.3785
            3   C8x C    17.8547  -17.0814
            4   C8x C    19.1199  -16.3785
            5   C8x C    19.1199  -14.9727
            6   C8x C    17.8547  -14.2697
            7   N2b N    15.4647  -14.2697 #+
            8   O3a O    14.2697  -14.9727
            9   O3a O    15.4647  -12.7936 #-
            10  N4y N    15.4647  -17.0814
            11  C8x C    14.1291  -16.6597
            12  C8x C    13.3559  -17.8547
            13  C8x C    14.1994  -18.9090
            14  C8y C    15.4647  -18.4873
            15  C2b C    16.6597  -19.1902
            16  C2b C    17.8547  -18.4873
            17  C2b C    19.0496  -19.1902
            18  N2b N    20.3149  -18.4873
            19  N1b N    21.5099  -19.1902
            20  C2c C    22.7049  -18.4873
            21  N1a N    23.8998  -19.1902
            22  N2a N    22.7049  -17.0814
            23  C6a C    28.7000  -18.4100
            24  O6a O    29.9124  -19.1100
            25  C1a C    27.4876  -19.1100
            26  O6a O    28.7000  -17.0100
BOND        26
            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     1   7 1
            8     7   8 2
            9     7   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   10  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   23  24 1
            25   23  25 1
            26   23  26 2

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