KEGG   DRUG: Mavorixafor
Entry
D11510                      Drug                                   
Name
Mavorixafor (USAN)
Formula
C21H27N5
Exact mass
349.2266
Mol weight
349.4726
Structure
Simcomp
Remark
Same as: C20266
Efficacy
Antineoplastic, Chemokine receptor type 4 (CXCR4) antagonist
Comment
leukocyte mobilization
Target
CXCR4 (CD184) [HSA:7852] [KO:K04189]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04062  Chemokine signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Cytokine receptors
   Chemokine receptors
    CXCR4 (CD184)
     D11510  Mavorixafor (USAN)
Other DBs
CAS: 558447-26-0
PubChem: 384585486
LinkDB
KCF data

ATOM        26
            1   C1b C    25.6200  -12.7400
            2   C1b C    26.8324  -13.4400
            3   N1a N    28.0279  -12.7496
            4   C1b C    24.4076  -13.4400
            5   C1b C    23.2121  -12.7496
            6   N1c N    22.0247  -13.4351
            7   C1b C    20.8335  -12.7471
            8   C8y C    19.6440  -13.4338
            9   C1y C    22.0245  -14.8398
            10  C1x C    20.8312  -15.5288
            11  C1x C    20.8312  -16.9288
            12  C1x C    22.0436  -17.6288
            13  C8y C    23.2370  -16.9398
            14  C8y C    23.2370  -15.5398
            15  C8x C    24.4494  -17.6398
            16  C8x C    25.6619  -16.9398
            17  C8x C    25.6618  -15.5398
            18  N5x N    24.4494  -14.8398
            19  N5x N    18.3891  -12.8749
            20  C8y C    17.4698  -13.8957
            21  C8y C    18.1565  -15.0855
            22  N4x N    19.5003  -14.8000
            23  C8x C    16.0698  -13.8956
            24  C8x C    15.3697  -15.1079
            25  C8x C    16.0564  -16.2977
            26  C8x C    17.4564  -16.2978
BOND        29
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     9   6 1 #Down
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15   13  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   14  18 2
            20    8  19 2
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24    8  22 1
            25   20  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   21  26 2

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