KEGG   DRUG: Pafolacianine sodium
Entry
D12250                      Drug                                   

Name
Pafolacianine sodium (USAN);
Cytalux (TN)
Product
Formula
C61H63N9O17S4. 4Na
Exact mass
1413.2816
Mol weight
1414.4221
Structure
Remark
Chemical structure group: DG03206
Product (DG03206): D12250<US>
Efficacy
Diagnostic aid (ovarian cancer)
Comment
Intraoperative imaging and detection of folate receptor positive malignant lesions
Target
FOLR [HSA:2348 2350 2352] [KO:K13649]
  Pathway
hsa04144  Endocytosis
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Other transporters
   Others
    FOLR
     D12250  Pafolacianine sodium (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12250
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12250
Other DBs
CAS: 1628858-03-6
ChEMBL: CHEMBL4594383
LinkDB
KCF data

ATOM        95
            1   C2y C    19.2325  -20.8469
            2   C1x C    19.2325  -22.2507
            3   C1x C    20.4258  -22.9526
            4   C1x C    21.6892  -22.2507
            5   C2y C    21.6892  -20.8469
            6   C2y C    20.4258  -20.1450
            7   C2b C    22.9526  -20.1450
            8   C2b C    24.1459  -20.8469
            9   C2b C    18.0393  -20.1450
            10  C2b C    16.8460  -20.8469
            11  C2y C    15.6528  -20.1450
            12  N2y N    14.4595  -20.8469 #+
            13  C1b C    14.4595  -22.2507
            14  C8y C    13.7576  -18.9517
            15  C8y C    13.4067  -20.2854
            16  C1z C    15.1614  -18.8815
            17  C1b C    13.2663  -22.9526
            18  C1b C    12.0730  -22.2507
            19  C1b C    10.8798  -22.9526
            20  S4a S     9.6865  -22.2507
            21  O1d O     8.3529  -21.5488 #-
            22  O1d O    10.3884  -21.0575
            23  O1d O     8.9144  -23.4440
            24  C8x C    12.7749  -17.9691
            25  C8y C    11.3711  -18.3200
            26  C8x C    11.0202  -19.6537
            27  C8x C    12.0730  -20.6363
            28  S4a S    10.3884  -17.3373
            29  O1d O     9.2658  -16.3547 #-
            30  O1d O     9.4058  -18.3200
            31  O1d O    11.3711  -16.3547
            32  C1a C    15.9335  -17.6883
            33  C1a C    14.4595  -17.6883
            34  C2y C    25.3391  -20.1450
            35  N1y N    26.5324  -20.8469
            36  C1z C    25.5497  -18.8114
            37  C8y C    27.5852  -19.8642
            38  C8y C    26.9535  -18.6008
            39  C1b C    26.5324  -22.2507
            40  C1b C    27.7256  -22.9526
            41  C1b C    28.9189  -22.3209
            42  C1b C    30.1121  -22.9526
            43  S4a S    31.3755  -22.2507
            44  O1d O    32.5688  -21.5488 #-
            45  O1d O    30.6736  -21.0575
            46  O1d O    32.0774  -23.5142
            47  C8x C    28.9890  -19.9344
            48  C8x C    29.7611  -18.8114
            49  C8y C    29.1294  -17.5479
            50  C8x C    27.7256  -17.4075
            51  C1a C    24.5670  -17.8287
            52  C1a C    24.2161  -19.2325
            53  S4a S    29.9015  -16.3547
            54  O1d O    30.6034  -15.1614 #-
            55  O1d O    28.6381  -15.6528
            56  O1d O    31.0948  -17.0566
            57  O2a O    20.4258  -18.7412
            58  C8y C    20.4258  -17.3373
            59  C8x C    21.6892  -16.6354
            60  C8x C    21.6892  -15.2316
            61  C8y C    20.4258  -14.5297
            62  C8x C    19.2325  -15.2316
            63  C8x C    19.2325  -16.6354
            64  C1b C    20.4258  -13.1259
            65  C1c C    19.2325  -12.4240
            66  C6a C    18.0393  -13.1259
            67  N1b N    19.2325  -11.0202
            68  C5a C    18.0393  -10.3183
            69  C8y C    16.8460  -10.9500
            70  O5a O    18.0393   -8.8442
            71  C8x C    15.6528  -10.3183
            72  C8x C    14.3893  -11.0202
            73  C8y C    14.3893  -12.4240
            74  C8x C    15.5826  -13.1259
            75  C8x C    16.8460  -12.4240
            76  N1b N    13.1961  -13.1259
            77  C1b C    11.9326  -12.4240
            78  C8y C    10.7394  -13.1259
            79  N5x N     9.5462  -12.4240
            80  C8y C     8.3529  -13.1259
            81  C8y C     8.3529  -14.5297
            82  N5x N     9.5462  -15.2316
            83  C8x C    10.7394  -14.5297
            84  C8y C     7.0895  -12.4240
            85  N4x N     5.8962  -13.1259
            86  C8y C     5.8962  -14.5297
            87  N5x N     7.0895  -15.2316
            88  O5x O     7.0895  -11.0202
            89  N1a N     4.7030  -15.2316
            90  O6a O    16.7758  -13.8278 #-
            91  O6a O    18.7412  -14.3191
            92  Z   Na   24.8500  -12.0400 #+
            93  Z   Na   24.8500  -12.0400 #+
            94  Z   Na   24.8500  -12.0400 #+
            95  Z   Na   24.8500  -12.0400 #+
BOND        99
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     5   7 2
            8     7   8 1
            9     1   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   14  15 1
            15   15  12 1
            16   11  16 1
            17   14  16 1
            18   13  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   20  23 2
            25   14  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   15  27 2
            30   25  28 1
            31   28  29 1
            32   28  30 2
            33   28  31 2
            34   16  32 1
            35   16  33 1
            36    8  34 2
            37   34  35 1
            38   36  34 1
            39   35  37 1
            40   37  38 1
            41   36  38 1
            42   35  39 1
            43   39  40 1
            44   40  41 1
            45   41  42 1
            46   42  43 1
            47   43  44 1
            48   43  45 2
            49   43  46 2
            50   37  47 2
            51   47  48 1
            52   48  49 2
            53   49  50 1
            54   38  50 2
            55   36  51 1
            56   36  52 1
            57   49  53 1
            58   53  54 1
            59   53  55 2
            60   53  56 2
            61    6  57 1
            62   57  58 1
            63   58  59 2
            64   59  60 1
            65   60  61 2
            66   61  62 1
            67   62  63 2
            68   58  63 1
            69   61  64 1
            70   64  65 1
            71   65  66 1 #Up
            72   65  67 1
            73   67  68 1
            74   68  69 1
            75   68  70 2
            76   69  71 2
            77   71  72 1
            78   72  73 2
            79   73  74 1
            80   74  75 2
            81   69  75 1
            82   73  76 1
            83   76  77 1
            84   77  78 1
            85   78  79 2
            86   79  80 1
            87   80  81 2
            88   81  82 1
            89   82  83 2
            90   78  83 1
            91   80  84 1
            92   84  85 1
            93   85  86 1
            94   86  87 2
            95   81  87 1
            96   84  88 2
            97   86  89 1
            98   66  90 1
            99   66  91 2
BRACKET     1    23.9400  -13.0200   23.9400  -10.8500
            1    26.8800  -10.8500   26.8800  -13.0200
            1  4
 ORIGINAL  1   92
 REPEAT    1   93  94  95

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