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KEGG   DRUG: Iptacopan hydrochloride
Entry
D12252                      Drug                                   
Name
Iptacopan hydrochloride (USAN);
Iptacopan hydrochloride hydrate (JAN);
Iptacopan hydrochloride monohydrate;
Fabhalta (TN)
Product
FABHALTA (Novartis Pharmaceuticals Corporation)
Formula
C25H30N2O4. HCl. H2O
Exact mass
476.2078
Mol weight
476.99
Structure
Class
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01644  CYP2D6 substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
  DG03184  UGT1A3 substrate
  DG03186  UGT1A8 substrate
Remark
Therapeutic category: 3999
ATC code: L04AJ08
Chemical structure group: DG03207
Product (DG03207): D12252<JP/US>
Efficacy
Complement factor B inhibitor
  Disease
Paroxysmal nocturnal hemoglobinuria [DS:H01053]
Comment
Treatment of nephropathy, glomerulopathy, paroxysmal nocturnal hemoglobinuria and other conditions
Target
CFB [HSA:629] [KO:K01335]
  Pathway
hsa04610  Complement and coagulation cascades
Metabolism
Enzyme: CYP2C8 [HSA:1558]; CYP2D6 [HSA:1565], UGT1A1 [HSA:54658], UGT1A3 [HSA:54659], UGT1A8 [HSA:54576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AJ Complement inhibitors
     L04AJ08 Iptacopan
      D12252  Iptacopan hydrochloride (USAN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immunological Agents, Other
   Complement Inhibitors
    Iptacopan
     D12252  Iptacopan hydrochloride (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D12252  Iptacopan hydrochloride (USAN); Iptacopan hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG03207  Iptacopan
    D12252  Iptacopan hydrochloride
  DG01644  CYP2D6 substrate
   DG03207  Iptacopan
    D12252  Iptacopan hydrochloride
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03207  Iptacopan
     D12252  Iptacopan hydrochloride
   DG03184  UGT1A3 substrate
    DG03207  Iptacopan
     D12252  Iptacopan hydrochloride
   DG03186  UGT1A8 substrate
    DG03207  Iptacopan
     D12252  Iptacopan hydrochloride
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    CFB
     D12252  Iptacopan hydrochloride (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12252
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12252
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12252
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12252
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12252
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG03207  Iptacopan
  DG01644  CYP2D6 substrate
   DG03207  Iptacopan
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03207  Iptacopan
   DG03184  UGT1A3 substrate
    DG03207  Iptacopan
   DG03186  UGT1A8 substrate
    DG03207  Iptacopan
Other DBs
CAS: 2447007-60-3
PubChem: 497620665
ChEBI: 229654
LinkDB
KCF data

ATOM        33
            1   N1y N    18.5852  -17.5370
            2   C1x C    18.5852  -19.0043
            3   C1x C    19.7730  -19.7030
            4   C1y C    20.9607  -19.0043
            5   C1x C    20.9607  -17.5370
            6   C1y C    19.7730  -16.8384
            7   C1b C    17.3276  -16.8384
            8   C8y C    16.1398  -17.5370
            9   C8y C    14.9520  -16.9082
            10  C8y C    13.7643  -17.6069
            11  C8x C    13.7643  -19.0043
            12  C8x C    14.9520  -19.6331
            13  C8y C    16.1398  -18.9344
            14  C8x C    14.6726  -15.5108
            15  C8x C    13.2752  -15.3711
            16  N4x N    12.7162  -16.6287
            17  O2a O    22.2184  -19.7030
            18  C1b C    23.4061  -19.0043
            19  C1a C    24.5939  -19.7030
            20  C8y C    19.7730  -15.4410
            21  C8x C    20.9607  -14.8122
            22  C8x C    20.9607  -13.3449
            23  C8y C    19.7730  -12.6462
            24  C8x C    18.5852  -13.3449
            25  C8x C    18.5852  -14.7423
            26  C6a C    19.7730  -11.2489
            27  O6a O    18.5153  -10.5502
            28  O6a O    20.9607  -10.5502
            29  O2a O    17.3974  -19.7030
            30  C1b C    17.3974  -21.1003
            31  C1a C    16.1398  -21.7990
            32  X   Cl   25.4100  -13.3000
            33  O0  O    25.7600  -16.5200
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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