KEGG   DRUG: D08971Help
Entry
D08971                      Drug                                   

Name
Plerixafor (USAN/INN);
Mozobil (TN)
Product
Formula
C28H54N8
Exact mass
502.4471
Mol weight
502.782
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Stem cell mobilization [DS:H00003]
Remark
ATC code: 
Target
chemokine receptor type 4 (CXCR4) antagonist [HSA:7852] [KO:K04189]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04062  Chemokine signaling pathway  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L03 IMMUNOSTIMULANTS
   L03A IMMUNOSTIMULANTS
    L03AX Other immunostimulants
     L03AX16 Plerixafor
      D08971  Plerixafor (USAN/INN)
USP drug classification [BR:br08302]
 Blood Products/Modifiers/Volume Expanders
  Blood Formation Modifiers
   Plerixafor
    D08971  Plerixafor (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Chemokine receptors
   chemokine  (C-X-C motif) receptor 4 (CXCR4)
    Plerixafor
     D08971  Plerixafor (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
110078-46-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        36
            1   C1x C    18.4800   -9.4500
            2   C1x C    18.4800  -10.8500
            3   C1x C    20.9049  -10.8500
            4   C1x C    20.9049   -9.4500
            5   N1x N    19.6924   -8.7500
            6   N1x N    17.2676  -11.5500
            7   C1x C    17.2676  -12.9500
            8   C1x C    18.4800  -13.6500
            9   C1x C    20.9049  -13.6500
            10  N1y N    22.1173  -12.9500
            11  C1x C    22.1173  -11.5500
            12  C1x C    18.4800  -15.0500
            13  N1x N    19.6924  -15.7500
            14  C1x C    20.9049  -15.0500
            15  C1b C    23.3318  -13.6512
            16  C8y C    24.5283  -12.9602
            17  C8x C    25.7151  -13.6454
            18  C8x C    26.9275  -12.9454
            19  C8y C    26.9275  -11.5454
            20  C8x C    25.7407  -10.8602
            21  C8x C    24.5283  -11.5602
            22  C1b C    28.1546  -10.8366
            23  N1y N    29.3618  -11.5334
            24  C1x C    29.3624  -12.9496
            25  C1x C    30.5751  -13.6492
            26  C1x C    30.5740  -10.8330
            27  C1x C    32.9989  -10.8321
            28  C1x C    32.9984   -9.4321
            29  N1x N    31.7857   -8.7326
            30  C1x C    30.5735   -9.4330
            31  C1x C    32.9999  -13.6321
            32  N1x N    34.2121  -12.9317
            33  C1x C    34.2116  -11.5317
            34  C1x C    30.5757  -15.0492
            35  N1x N    31.7884  -15.7487
            36  C1x C    33.0005  -15.0482
BOND        38
            1     1   2 1
            2     3   4 1
            3     4   5 1
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     9  10 1
            9    10  11 1
            10    3  11 1
            11    8  12 1
            12   12  13 1
            13   13  14 1
            14   14   9 1
            15   10  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   23  26 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   26  30 1
            32   31  32 1
            33   32  33 1
            34   27  33 1
            35   25  34 1
            36   34  35 1
            37   35  36 1
            38   36  31 1

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