KEGG   DRUG: Vamorolone
Entry
D11000                      Drug                                   

Name
Vamorolone (USAN/INN)
Formula
C22H28O4
Exact mass
356.1988
Mol weight
356.4553
Structure
Simcomp
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
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
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D11000  Vamorolone (USAN/INN)
Other DBs
CAS: 13209-41-1
PubChem: 342581839
ChEMBL: CHEMBL2348780
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

» Japanese version   » Back

DBGET integrated database retrieval system