KEGG   DRUG: Vamorolone
Entry
D11000                      Drug                                   
Name
Vamorolone (USAN/INN);
Agamree (TN)
Product
Formula
C22H28O4
Exact mass
356.1988
Mol weight
356.45
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
 DG02924  UGT substrate
  DG03184  UGT1A3 substrate
  DG03190  UGT2B7 substrate
  DG03181  UGT2B17 substrate
Remark
ATC code: H02AB18
Product: D11000<US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
  Disease
Duchenne muscular dystrophy [DS:H01963]
Comment
Treatment of Duchenne muscular dystrophy, rheumatoid arthritis, asthma, Crohn's disease, ulcerative colitis, multiple sclerosis
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP2C8 [HSA:1558], UGT1A3 [HSA:54659], UGT2B7 [HSA:7364], UGT2B17 [HSA:7367]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB18 Vamorolone
      D11000  Vamorolone (USAN/INN) <US>
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    D11000  Vamorolone
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   D11000  Vamorolone
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11000  Vamorolone
  DG02925  CYP3A5 substrate
   D11000  Vamorolone
  DG02924  UGT substrate
   DG03184  UGT1A3 substrate
    D11000  Vamorolone
   DG03190  UGT2B7 substrate
    D11000  Vamorolone
   DG03181  UGT2B17 substrate
    D11000  Vamorolone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D11000  Vamorolone (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11000
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11000
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11000
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11000
Other DBs
CAS: 13209-41-1
PubChem: 342581839
ChEBI: 228304
LinkDB
KCF data

ATOM        26
            1   C2x C    15.0778  -18.4144
            2   C5x C    15.0778  -19.7414
            3   C2x C    16.2651  -20.4398
            4   C2y C    17.4525  -19.7414
            5   C1z C    17.4525  -18.4144
            6   C2x C    16.2651  -17.7159
            7   C1x C    18.6398  -20.4398
            8   C1x C    19.8271  -19.7414
            9   C1y C    19.8271  -18.4144
            10  C2y C    18.6398  -17.7159
            11  C1y C    20.8748  -17.7159
            12  C1z C    20.8748  -16.3889
            13  C1x C    19.8271  -15.6905
            14  C2x C    18.6398  -16.3889
            15  C1x C    23.1796  -17.7159
            16  C1y C    23.1796  -16.3889
            17  C1z C    21.9922  -15.6905
            18  O5x O    13.9603  -20.4398
            19  C1a C    17.4525  -17.0175
            20  C1a C    20.8748  -14.9921
            21  C5a C    21.9922  -13.9441
            22  O5a O    23.2019  -13.2457
            23  C1b C    20.7826  -13.2457
            24  O1a O    19.5825  -13.9384
            25  O1a O    23.2047  -14.9905
            26  C1a C    24.5319  -16.0266
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22    5  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   23  24 1
            28   17  25 1 #Down
            29   16  26 1 #Down

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