KEGG   DRUG: Linogliride fumarate
Entry
D04740                      Drug                                   
Name
Linogliride fumarate (USAN)
Formula
C16H22N4O. C4H4O4
Exact mass
402.1903
Mol weight
402.44
Structure
Simcomp
Remark
Chemical structure group: DG02893
Efficacy
Antidiabetic
Target
ABCC8(SUR1)/KCNJ11(KIR6.2) [HSA:6833 3767] [KO:K05032 K05004]
  Pathway
hsa02010  ABC transporters
hsa04911  Insulin secretion
hsa04930  Type II diabetes mellitus
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  ABC transporters
   ABCC subfamily
    ABCC8(SUR1)/KCNJ11(KIR6.2)
     D04740  Linogliride fumarate (USAN)
Other DBs
CAS: 78782-47-5
PubChem: 47206561
LigandBox: D04740
NIKKAJI: J410.884A
LinkDB
KCF data

ATOM        29
            1   C6a C    34.9775  -16.0992
            2   C2b C    36.1886  -16.8012
            3   O6a O    33.7665  -16.8012
            4   O6a O    34.9775  -14.7011
            5   C2b C    37.4053  -16.0992
            6   C6a C    38.6163  -16.8012
            7   O6a O    39.8273  -16.0992
            8   O6a O    38.6163  -18.1993
            9   C8x C    22.3106  -15.0251
            10  C8x C    22.3106  -16.4232
            11  C8x C    23.5214  -17.1223
            12  C8x C    24.7322  -16.4232
            13  C8y C    24.7322  -15.0251
            14  C8x C    23.5214  -14.3260
            15  N2b N    25.9617  -14.3151
            16  C2c C    27.1653  -15.0098
            17  N2b N    28.3460  -14.3279
            18  N1y N    27.1657  -16.4228
            19  C1x C    25.9315  -17.1363
            20  C1x C    25.9322  -18.5344
            21  O2x O    27.1435  -19.2329
            22  C1x C    28.3777  -18.5194
            23  C1x C    28.3769  -17.1213
            24  C2y C    29.5384  -15.0163
            25  C1x C    29.5407  -16.4206
            26  C1x C    30.8755  -16.8552
            27  C1x C    31.7013  -15.7202
            28  N1y N    30.8770  -14.5840
            29  C1a C    31.3051  -13.2703
BOND        30
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   18  23 1
            24   17  24 2
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   24  28 1
            30   28  29 1

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