KEGG   DRUG: DelamanidHelp
Entry
D09785                      Drug                                   

Name
Delamanid (JAN/USAN);
Deltyba (TN)
Formula
C25H25F3N4O6
Exact mass
534.1726
Mol weight
534.4844
Structure
Mol fileKCF fileDB search
Class
Antibacterial
 DG01966  Antitubercular
Enzyme substrate
 DG01891  CYP1A1 substrate
 DG01644  CYP2D6 substrate
 DG02855  CYP2E1 substrate
Remark
Therapeutic category: 6222
ATC code: J04AK06
Product: D09785<JP>
Efficacy
Antibacterial (tuberculostatic), Mycolic acid biosynthesis inhibitor
Comment
Treatment of tuberculosis
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A1 [HSA:1543], CYP2D6 [HSA:1565], CYP2E1 [HSA:1571]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AK Other drugs for treatment of tuberculosis
     J04AK06 Delamanid
      D09785  Delamanid (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   622  Tuberculosis preparations
    6222  Isoniazids
     D09785  Delamanid (JAN/USAN)
Antiinfectives [br08350.html]
 Antibacterials
  D09785
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09785
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09785
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09785
BRITE hierarchy
Other DBs
CAS: 681492-22-8
PubChem: 124490525
ChEMBL: CHEMBL218650
LigandBox: D09785
LinkDB All DBs
KCF data Show

ATOM        38
            1   C8y C    28.0000  -18.9700
            2   C8x C    28.0000  -20.3700
            3   C8x C    29.2124  -21.0700
            4   C8y C    30.4249  -20.3700
            5   C8x C    30.4249  -18.9700
            6   C8x C    29.2124  -18.2700
            7   O2a O    26.7876  -18.2700
            8   C1y C    25.5921  -18.9604
            9   C1x C    24.4047  -18.2749
            10  C1x C    23.1923  -18.9750
            11  N1y N    23.1924  -20.3750
            12  C1x C    24.3797  -21.0604
            13  C1x C    25.5921  -20.3604
            14  O2a O    31.6560  -21.0810
            15  C1d C    32.8612  -20.3853
            16  X   F    34.0736  -19.6853
            17  X   F    32.1612  -19.1729
            18  X   F    33.5612  -21.5978
            19  C8y C    21.9655  -21.0836
            20  C8x C    20.7581  -20.3866
            21  C8x C    19.5457  -21.0868
            22  C8y C    19.5459  -22.4868
            23  C8x C    20.7533  -23.1837
            24  C8x C    21.9656  -22.4836
            25  O2a O    18.3291  -23.1896
            26  C1b C    17.1164  -22.4897
            27  C1z C    15.9378  -23.1704
            28  O2x O    14.6772  -22.6093
            29  C8y C    13.7540  -23.6348
            30  N4y N    14.4440  -24.8297
            31  C1x C    15.7936  -24.5427
            32  N5x N    12.4043  -23.9217
            33  C8y C    12.2601  -25.2940
            34  C8x C    13.5207  -25.8552
            35  N2b N    11.0507  -25.9923 #+
            36  O3a O     9.8357  -25.2909 #-
            37  O3a O    11.0509  -27.3700
            38  C1a C    17.1273  -23.9429
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15    4  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19   15  18 1
            20   11  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   27  26 1 #Up
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   27  31 1
            35   29  32 2
            36   32  33 1
            37   33  34 2
            38   30  34 1
            39   33  35 1
            40   35  36 1
            41   35  37 2
            42   27  38 1 #Down

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