KEGG   DRUG: Resmetirom
Entry
D11602                      Drug                                   
Name
Resmetirom (USAN/INN);
Rezdiffra (TN)
Product
REZDIFFRA (Madrigal Pharmaceuticals)
Formula
C17H12Cl2N6O4
Exact mass
434.0297
Mol weight
435.221
Structure
Class
Hormonal agent
 DG01953  Thyroid preparation
Remark
Product: D11602<US>
Efficacy
Antidyslipidemia, Thyroid hormone receptor beta agonist
  Disease
Nonalcoholic steatohepatitis [DS:H01333]
Comment
Treatment of non-alcoholic steatohepatitis (NASH) and hypercholesterolemia/dyslipidemia
Target
NR1A2 (THRB) [HSA:7068] [KO:K08362]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04919  Thyroid hormone signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01953  Thyroid preparation
   D11602  Resmetirom
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Thyroid hormone receptor (THR)
    NR1A2 (THRB)
     D11602  Resmetirom (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11602
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11602
Other DBs
CAS: 920509-32-6
PubChem: 405226469
LinkDB
KCF data

ATOM        29
            1   C8y C    10.8500  -16.9400
            2   C8y C    10.8500  -15.5400
            3   C8x C    12.0400  -14.8400
            4   C8y C    13.3000  -15.5400
            5   N5x N    13.3000  -16.9400
            6   N4x N    12.0400  -17.6400
            7   O2a O    14.4900  -14.8400
            8   C8y C    15.6800  -15.5400
            9   C8y C    16.8700  -14.8400
            10  C8x C    18.1300  -15.5400
            11  C8y C    18.1300  -16.9400
            12  C8x C    16.9400  -17.6400
            13  C8y C    15.6800  -16.9400
            14  N4y N    19.3200  -17.6400
            15  N5x N    20.5100  -16.9400
            16  C8y C    21.7700  -17.6400
            17  C8y C    21.7700  -19.0400
            18  N4x N    20.5800  -19.7400
            19  C8y C    19.3200  -19.0400
            20  O5x O    22.9600  -19.7400
            21  O5x O    18.1300  -19.7400
            22  O5x O     9.6600  -17.6400
            23  C1c C     9.6600  -14.8400
            24  C1a C     8.4700  -15.5400
            25  C1a C     9.6600  -13.4400
            26  X   Cl   14.4900  -17.6400
            27  X   Cl   16.8700  -13.4400
            28  C3b C    22.9600  -16.9400
            29  N3a N    24.2200  -16.2400
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 2
            23   19  21 2
            24    1  22 2
            25    2  23 1
            26   23  24 1
            27   23  25 1
            28   13  26 1
            29    9  27 1
            30   16  28 1
            31   28  29 3

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