KEGG   DRUG: DilazepHelp
Entry
D07843                      Drug                                   

Name
Dilazep (INN)
Formula
C31H44N2O10
Exact mass
604.2996
Mol weight
604.6885
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: C01DX10
Chemical structure group: DG00237
Product (DG00237): D02631<JP>
Efficacy
Vasodilator (coronary)
Target
SLC29A1 (ENT1) [HSA:2030] [KO:K15014]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01D VASODILATORS USED IN CARDIAC DISEASES
    C01DX Other vasodilators used in cardiac diseases
     C01DX10 Dilazep
      D07843  Dilazep (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC29
    SLC29A1 (ENT1)
     D07843  Dilazep (INN)
BRITE hierarchy
Other DBs
CAS: 35898-87-4
PubChem: 96024540
ChEMBL: CHEMBL126075
LigandBox: D07843
NIKKAJI: J19.442E
LinkDB All DBs
KCF data Show

ATOM        43
            1   N1y N    22.6100  -16.8700
            2   C1x C    23.0300  -15.4700
            3   C1x C    24.2200  -14.9100
            4   C1x C    23.5900  -17.9200
            5   C1x C    25.4800  -15.4000
            6   C1x C    24.9900  -17.9200
            7   N1y N    25.8300  -16.8700
            8   C8y C    12.9500  -18.2700
            9   C8y C    12.9500  -16.8700
            10  C8x C    14.1400  -16.1700
            11  C8y C    15.3300  -16.8700
            12  C8x C    15.3300  -18.2700
            13  C8y C    14.1400  -18.9700
            14  O2a O    14.1400  -20.3700
            15  C1a C    12.9500  -21.0700
            16  O2a O    11.6900  -18.9700
            17  C1a C    10.5000  -18.2700
            18  O2a O    11.6900  -16.1700
            19  C1a C    11.6900  -14.7700
            20  C7a C    16.5900  -16.1700
            21  O7a O    17.7800  -16.8700
            22  C1b C    18.9700  -16.1700
            23  C1b C    20.2300  -16.8700
            24  C1b C    21.4200  -16.1700
            25  O6a O    16.5900  -14.7700
            26  C1b C    27.0200  -16.1700
            27  C1b C    28.2100  -16.8700
            28  C1b C    29.4700  -16.1700
            29  O7a O    30.6600  -16.8700
            30  C7a C    31.8500  -16.1700
            31  C8y C    33.0400  -16.8000
            32  O6a O    31.8500  -14.7700
            33  C8x C    33.0400  -18.2700
            34  C8y C    34.2300  -18.9700
            35  C8y C    35.4900  -18.2700
            36  C8y C    35.4900  -16.8000
            37  C8x C    34.2300  -16.1000
            38  O2a O    34.2300  -20.3700
            39  C1a C    35.4900  -21.0700
            40  O2a O    36.6800  -18.9700
            41  C1a C    37.8700  -18.2700
            42  O2a O    36.6800  -16.1000
            43  C1a C    36.6800  -14.7700
BOND        45
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   7 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13   8 1
            14   13  14 1
            15   14  15 1
            16    8  16 1
            17   16  17 1
            18    9  18 1
            19   18  19 1
            20   11  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   20  25 2
            26   24   1 1
            27    7  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   30  32 2
            34   31  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   31  37 1
            40   34  38 1
            41   38  39 1
            42   35  40 1
            43   40  41 1
            44   36  42 1
            45   42  43 1

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