KEGG   DRUG: DeflazacortHelp
Entry
D03671                      Drug                                   

Name
Deflazacort (USAN/INN)
Product
Formula
C25H31NO6
Exact mass
441.2151
Mol weight
441.5167
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
Remark
ATC code: H02AB13
Product: D03671<US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Drug 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
     H02AB13 Deflazacort
      D03671  Deflazacort (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D03671  Deflazacort (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D03671
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03671
BRITE hierarchy
Other DBs
CAS: 14484-47-0
PubChem: 17397767
ChEMBL: CHEMBL1201891
LigandBox: D03671
NIKKAJI: J83.648F
LinkDB All DBs
KCF data Show

ATOM        32
            1   C2x C     8.1200  -22.3300
            2   C5x C     8.1200  -23.7300
            3   C2x C     9.3324  -24.4300
            4   C2y C    10.5449  -23.7300
            5   C1z C    10.5449  -22.3300
            6   C2x C     9.3324  -21.6300
            7   C1x C    11.7573  -24.4300
            8   C1x C    12.9697  -23.7300
            9   C1y C    12.9697  -22.3300
            10  C1y C    11.7573  -21.6300
            11  C1y C    14.1822  -21.6300
            12  C1z C    14.1822  -20.2300
            13  C1x C    12.9697  -19.5300
            14  C1y C    11.7573  -20.2300
            15  C1x C    16.6070  -21.6300
            16  C1y C    16.6070  -20.2300
            17  C1z C    15.3946  -19.5300
            18  O5x O     6.9076  -24.4300
            19  C5a C    15.3946  -17.7800
            20  O5a O    16.6111  -17.0777
            21  C1b C    14.1862  -17.0823
            22  O7a O    12.9927  -17.7716
            23  C7a C    11.8044  -17.0855
            24  C1a C    10.6137  -17.7732
            25  O6a O    11.8042  -15.6802
            26  C1a C    14.1822  -18.8300
            27  O1a O    10.5469  -19.5312
            28  C1a C    10.5449  -20.9300
            29  O2x O    18.0070  -20.2300
            30  N2x N    16.6070  -18.8300
            31  C2y C    18.0070  -18.8300
            32  C1a C    18.9884  -17.8485
BOND        36
            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 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22   17  19 1 #Up
            23   19  20 2
            24   19  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 2
            29   12  26 1 #Up
            30   14  27 1 #Up
            31    5  28 1 #Up
            32   16  29 1 #Down
            33   17  30 1 #Down
            34   30  31 2
            35   31  29 1
            36   31  32 1

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