KEGG   DRUG: Iptacopan
Entry
D12251                      Drug                                   
Name
Iptacopan (USAN/INN)
Formula
C25H30N2O4
Exact mass
422.2206
Mol weight
422.5167
Structure
Remark
Chemical structure group: DG03207
Efficacy
Complement factor B inhibitor
Comment
Treatment of nephropathy, glomerulopathy, paroxysmal nocturnal hemoglobinuria and other conditions
Target
CFB [HSA:629] [KO:K01335]
  Pathway
hsa04610  Complement and coagulation cascades
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    CFB
     D12251  Iptacopan (USAN/INN)
Other DBs
CAS: 1644670-37-0
LinkDB
KCF data

ATOM        31
            1   N1y N    18.5164  -17.9525
            2   C1x C    18.5164  -19.3555
            3   C1x C    19.7314  -20.0570
            4   C1y C    20.9465  -19.3555
            5   C1x C    20.9465  -17.9525
            6   C1y C    19.7314  -17.2510
            7   C1b C    17.3014  -17.2510
            8   C8y C    16.1033  -17.9429
            9   C8y C    14.9134  -17.2559
            10  C8y C    13.6984  -17.9575
            11  C8x C    13.6985  -19.3605
            12  C8x C    14.8883  -20.0474
            13  C8y C    16.1033  -19.3459
            14  C8x C    14.6217  -15.8836
            15  C8x C    13.2264  -15.7370
            16  N4x N    12.6557  -17.0187
            17  O2a O    22.1803  -20.0680
            18  C1b C    23.3881  -19.3709
            19  C1a C    24.5729  -20.0551
            20  C8y C    19.7314  -15.8482
            21  C8x C    20.9296  -15.1562
            22  C8x C    20.9294  -13.7532
            23  C8y C    19.7143  -13.0519
            24  C8x C    18.5162  -13.7438
            25  C8x C    18.5163  -15.1468
            26  C6a C    19.7142  -11.6390
            27  O6a O    18.4952  -10.9354
            28  O6a O    20.9253  -10.9397
            29  O2a O    17.3435  -20.0619
            30  C1b C    17.3435  -21.4649
            31  C1a C    16.1329  -22.1639
BOND        34
            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     1   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    9  14 1
            16   14  15 2
            17   15  16 1
            18   10  16 1
            19    4  17 1 #Up
            20   17  18 1
            21   18  19 1
            22    6  20 1 #Down
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   20  25 1
            29   23  26 1
            30   26  27 1
            31   26  28 2
            32   13  29 1
            33   29  30 1
            34   30  31 1

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