KEGG   DRUG: Iguratimod
Entry
D01146                      Drug                                   
Name
Iguratimod (JAN/INN)
Formula
C17H14N2O6S
Exact mass
374.0573
Mol weight
374.37
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
Metabolizing enzyme substrate
 DG02928  NAT substrate
Remark
Therapeutic category: 3999
Product: D01146<JP>
Efficacy
Antirheumatic, NF-kappa B inhibitor
Target
NFKB1 [HSA:4790] [KO:K02580]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04380  Osteoclast differentiation
Metabolism
Enzyme: NAT [HSA:9 10]
Interaction
Structure map
map07050  Antirheumatics - DMARDs and biological agents
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D01146  Iguratimod (JAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D01146  Iguratimod
 Metabolizing enzyme substrate
  DG02928  NAT substrate
   D01146  Iguratimod
Drug classes [BR:br08332]
 Antirheumatic agent
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D01146  Iguratimod
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Genetic information processing
   Transcription factor
    NFKB1
     D01146  Iguratimod (JAN/INN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01146
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01146
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01146
Other DBs
CAS: 123663-49-0
PubChem: 7848209
ChEBI: 31689
PDB-CCD: 7TN[PDBj]
LigandBox: D01146
LinkDB
KCF data

ATOM        26
            1   C8x C    25.2173  -17.9350
            2   C8x C    25.2173  -20.7366
            3   C8y C    24.0084  -20.0362
            4   C8y C    24.0143  -18.6354
            5   C8y C    22.8042  -17.9299
            6   O2x O    22.7922  -20.7315
            7   C8x C    21.5821  -20.0259
            8   C8y C    21.5948  -18.6288
            9   N1b N    20.3911  -17.9192
            10  C4a C    19.1749  -18.6069
            11  C8y C    26.4334  -18.6354
            12  C8y C    26.4334  -20.0362
            13  N1b N    27.6464  -20.7366
            14  O2a O    27.6464  -17.9350
            15  S4a S    28.8592  -20.0362
            16  C1a C    30.0721  -20.7370
            17  C8y C    27.6464  -16.5342
            18  C8x C    28.8616  -15.8374
            19  C8x C    28.8616  -14.4366
            20  C8x C    27.6484  -13.7362
            21  C8x C    26.4354  -14.4366
            22  C8x C    26.4354  -15.8374
            23  O5x O    22.8069  -16.5291
            24  O4a O    17.9682  -17.8955
            25  O3c O    30.0627  -19.3289
            26  O3c O    27.6360  -19.3358
BOND        28
            1     5   8 1
            2    11  12 2
            3    12  13 1
            4    13  15 1
            5    14  11 1
            6     7   6 1
            7     6   3 1
            8    15  16 1
            9     2  12 1
            10   14  17 1
            11   11   1 1
            12    1   4 2
            13    7   8 2
            14    8   9 1
            15   17  18 2
            16   18  19 1
            17   19  20 2
            18   20  21 1
            19   21  22 2
            20   22  17 1
            21    9  10 1
            22    5  23 2
            23    3   2 2
            24   10  24 2
            25    3   4 1
            26   15  25 2
            27    4   5 1
            28   15  26 2

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