KEGG   DRUG: LifitegrastHelp
Entry
D10374                      Drug                                   

Name
Lifitegrast (USAN/INN);
Xiidra (TN)
Product
Formula
C29H24Cl2N2O7S
Exact mass
614.0681
Mol weight
615.4811
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: S01XA25
Chemical structure group: DG01389
Product (DG01389): D10374<US>
Efficacy
Anti-inflammatory, Lymphocyte function-associated antigen-1 antagonist
  Disease
Dry eye desease [DS:H01641]
Comment
Treatment of ocular inflammatory diseases
Target
ITGAL (CD11A) [HSA:3683] [KO:K05718]
  Pathway
hsa04015  Rap1 signaling pathway
hsa04514  Cell adhesion molecules (CAMs)
hsa04650  Natural killer cell mediated cytotoxicity
hsa04670  Leukocyte transendothelial migration
hsa04810  Regulation of actin cytoskeleton
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA25 Lifitegrast
      D10374  Lifitegrast (USAN/INN) <US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Agents, Other
   Lifitegrast
    D10374  Lifitegrast (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Cell adhesion molecules: other families
   Integrins
    ITGAL (CD11A)
     D10374  Lifitegrast (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10374
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10374
BRITE hierarchy
Other DBs
CAS: 1025967-78-5
PubChem: 172232467
ChEBI: 133023
ChEMBL: CHEMBL2048028
LinkDB All DBs
KCF data Show

ATOM        41
            1   C8y C    28.4900  -33.1100
            2   C8y C    28.4900  -31.7100
            3   C8x C    27.3000  -31.0100
            4   C8y C    26.1100  -31.7100
            5   C8x C    26.1100  -33.1100
            6   C8x C    27.3000  -33.8100
            7   C8x C    29.8200  -33.5300
            8   C8x C    30.6600  -32.4100
            9   O2x O    29.8200  -31.2900
            10  C5a C    24.8500  -31.0100
            11  N1y N    23.6600  -31.7100
            12  C1x C    22.4700  -31.0100
            13  C8y C    21.2100  -31.7100
            14  C8y C    21.2100  -33.1100
            15  C1x C    22.4000  -33.8100
            16  C1x C    23.6600  -33.1100
            17  C8x C    20.0200  -31.0100
            18  C8y C    18.8300  -31.7100
            19  C8y C    18.8300  -33.1100
            20  C8y C    20.0200  -33.8100
            21  C5a C    17.5700  -33.8100
            22  N1b N    16.3800  -33.1100
            23  C1c C    15.1900  -33.8100
            24  O5a O    24.8500  -29.6100
            25  X   Cl   20.0200  -35.2100
            26  X   Cl   17.5700  -31.0100
            27  O5a O    17.5700  -35.2100
            28  C1b C    14.0000  -33.1100
            29  C6a C    15.1900  -35.2100
            30  O6a O    16.3800  -35.9100
            31  O6a O    14.0000  -35.9100
            32  C8y C    12.8100  -33.8100
            33  C8x C    11.6200  -33.1100
            34  C8x C    10.3600  -33.8100
            35  C8x C    10.3600  -35.2100
            36  C8y C    11.6200  -35.9100
            37  C8x C    12.8100  -35.2100
            38  S4a S    11.6200  -37.3100
            39  O3c O    10.2200  -37.3100
            40  O3c O    13.0200  -37.3100
            41  C1a C    11.6200  -38.7100
BOND        45
            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 2
            9     8   9 1
            10    2   9 1
            11    4  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   13  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   14  20 2
            24   19  21 1
            25   21  22 1
            26   22  23 1
            27   10  24 2
            28   20  25 1
            29   18  26 1
            30   21  27 2
            31   23  28 1
            32   23  29 1 #Down
            33   29  30 1
            34   29  31 2
            35   28  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   32  37 1
            42   36  38 1
            43   38  39 2
            44   38  40 2
            45   38  41 1

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