KEGG   DRUG: Atiprimod dihydrochlorideHelp
Entry
D03003                      Drug                                   

Name
Atiprimod dihydrochloride (USAN)
Formula
C22H44N2. 2HCl
Exact mass
408.3038
Mol weight
409.52
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02069
Efficacy
Anti-inflammatory, Immunomodulator
Target
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
  Pathway
hsa04217  Necroptosis
hsa04630  JAK-STAT signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK2
     D03003  Atiprimod dihydrochloride (USAN)
    JAK3
     D03003  Atiprimod dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 130065-61-1
PubChem: 17397159
ChEMBL: CHEMBL3215883
LigandBox: D03003
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1x C    12.8800  -13.8600
            2   C1x C    14.2800  -13.8600
            3   C1z C    14.9800  -12.6476
            4   C1x C    14.2800  -11.4351
            5   C1x C    12.8800  -11.4351
            6   C1z C    12.1800  -12.6476
            7   C1x C    15.6800  -13.8600
            8   C1x C    17.0494  -13.5689
            9   N1y N    17.1958  -12.1766
            10  C1x C    15.9168  -11.6072
            11  C1b C    11.4800  -11.4351
            12  C1b C    11.4800  -13.8600
            13  C1b C    10.0800  -11.4351
            14  C1b C    10.0800  -13.8600
            15  C1a C     9.3690  -10.2040
            16  C1a C     9.3800  -15.0724
            17  C1b C    18.4324  -11.4800
            18  C1b C    19.6449  -12.1800
            19  C1b C    20.8573  -11.4800
            20  N1c N    22.0697  -12.1800
            21  C1b C    23.2822  -11.4800
            22  C1a C    24.4946  -12.1800
            23  C1b C    22.0697  -13.5800
            24  C1a C    20.8573  -14.2800
            25  X   Cl   28.9800  -14.3500
            26  X   Cl   28.9800  -14.3500
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    6  11 1
            13    6  12 1
            14   11  13 1
            15   12  14 1
            16   13  15 1
            17   14  16 1
            18    9  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   20  23 1
            25   23  24 1
BRACKET     1    27.3700  -15.1200   27.3700  -13.2300
            1    29.8900  -13.2300   29.8900  -15.1200
            1  2
 ORIGINAL  1   25
 REPEAT    1   26

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