KEGG   DRUG: Elacridar hydrochloride
Entry
D03968                      Drug                                   

Name
Elacridar hydrochloride (USAN)
Formula
C34H33N3O5. HCl
Exact mass
599.2187
Mol weight
600.1039
Structure
Efficacy
Antineoplastic (adjunct), P-Glycoprotein inhibitor
Target
ABCB1 (CD243) [HSA:5243] [KO:K05658]
  Pathway
hsa02010  ABC transporters
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ABCB1 (CD243)
     D03968  Elacridar hydrochloride (USAN)
Other DBs
CAS: 143851-98-3
PubChem: 47205954
ChEMBL: CHEMBL2074730
LigandBox: D03968
KCF data

ATOM        43
            1   C8x C    27.7200  -12.3200
            2   C8x C    27.7200  -13.7200
            3   C8y C    28.9324  -14.4200
            4   C8y C    30.1449  -13.7200
            5   C8y C    30.1449  -12.3200
            6   C8x C    28.9324  -11.6200
            7   N4x N    31.3573  -14.4200
            8   C8y C    32.5697  -13.7200
            9   C8y C    32.5697  -12.3200
            10  C8y C    31.3573  -11.6200
            11  C8y C    33.7822  -14.4200
            12  C8x C    34.9946  -13.7200
            13  C8x C    34.9946  -12.3200
            14  C8x C    33.7822  -11.6200
            15  O5x O    31.3573  -10.2200
            16  C5a C    28.9324  -15.8198
            17  N1b N    27.7032  -16.5297
            18  O5a O    30.1280  -16.5102
            19  C8y C    26.4992  -15.8346
            20  C8x C    26.4989  -14.4203
            21  C8x C    25.2863  -13.7206
            22  C8y C    24.0740  -14.4209
            23  C8x C    24.0744  -15.8352
            24  C8x C    25.2870  -16.5349
            25  C1b C    22.8655  -13.7236
            26  C1b C    21.6733  -14.4125
            27  N1y N    20.4840  -13.7263
            28  C1x C    20.4835  -12.3203
            29  C1x C    19.2708  -11.6207
            30  C8y C    18.0586  -12.3211
            31  C8y C    18.0591  -13.7271
            32  C1x C    19.2718  -14.4267
            33  C8x C    16.8460  -11.6215
            34  C8y C    15.6338  -12.3219
            35  C8y C    15.6342  -13.7279
            36  C8x C    16.8469  -14.4275
            37  O2a O    14.4026  -11.6114
            38  O2a O    14.4075  -14.4369
            39  C1a C    13.1969  -13.7388
            40  C1a C    13.1998  -12.3063
            41  O2a O    33.7822  -15.8197
            42  C1a C    35.0154  -16.5320
            43  X   Cl   31.2200  -19.1100
BOND        47
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 2
            18    3  16 1
            19   16  17 1
            20   16  18 2
            21   17  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   22  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1
            37   30  33 2
            38   33  34 1
            39   34  35 2
            40   35  36 1
            41   31  36 2
            42   34  37 1
            43   35  38 1
            44   38  39 1
            45   37  40 1
            46   11  41 1
            47   41  42 1

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