KEGG   DRUG: Nirogacestat hydrobromide
Entry
D11453                      Drug                                   
Name
Nirogacestat hydrobromide (USAN);
Ogsiveo (TN)
Product
OGSIVEO (SpringWorks Therapeutics)
Formula
C27H41F2N5O. 2HBr
Exact mass
649.1802
Mol weight
651.47
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Chemical structure group: DG03016
Product (DG03016): D11453<US>
Efficacy
Antineoplastic, gamma-Secretase inhibitor
Comment
Treatment of desmoid tumors
Target
PSEN1/PSENEN/NCSTN/APH1A [HSA:5663 55851 23385 51107] [KO:K04505 K06170 K06171 K06172]
  Pathway
hsa04330  Notch signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C19 [HSA:1557], CYP2C9 [HSA:1559], CYP2D6 [HSA:1565]
Interaction
Brite
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG03016  Nirogacestat
    D11453  Nirogacestat hydrobromide
  DG01639  CYP2C19 substrate
   DG03016  Nirogacestat
    D11453  Nirogacestat hydrobromide
  DG01644  CYP2D6 substrate
   DG03016  Nirogacestat
    D11453  Nirogacestat hydrobromide
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03016  Nirogacestat
     D11453  Nirogacestat hydrobromide
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Aspartic peptidases
    PSEN1/PSENEN/NCSTN/APH1A
     D11453  Nirogacestat hydrobromide (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11453
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11453
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11453
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG03016  Nirogacestat
  DG01639  CYP2C19 substrate
   DG03016  Nirogacestat
  DG01644  CYP2D6 substrate
   DG03016  Nirogacestat
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03016  Nirogacestat
Other DBs
PubChem: 384585430
LinkDB
KCF data

ATOM        37
            1   C8y C    10.8074  -15.8600
            2   C1x C    10.8074  -17.2635
            3   C1x C    12.0004  -17.9653
            4   C1y C    13.2636  -17.2635
            5   C1x C    13.2636  -15.8600
            6   C8y C    12.0004  -15.1582
            7   C8y C    12.0004  -13.7546
            8   C8x C    10.8074  -13.0529
            9   C8y C     9.6144  -13.7546
            10  C8x C     9.6144  -15.1582
            11  N1b N    14.4566  -17.9653
            12  C1c C    15.6496  -17.2635
            13  C5a C    16.8426  -17.9653
            14  N1b N    18.1058  -17.2635
            15  C8y C    19.2988  -17.9653
            16  C1b C    15.6496  -15.8600
            17  C1b C    16.9128  -15.1582
            18  C1a C    16.9128  -13.7546
            19  O5a O    16.8426  -19.3688
            20  N5x N    19.7199  -19.2986
            21  C8x C    21.1234  -19.2986
            22  N4y N    21.5444  -17.9653
            23  C8x C    20.4216  -17.1231
            24  C1d C    22.7375  -17.2635
            25  C1b C    24.0006  -17.9653
            26  N1b N    25.1936  -17.2635
            27  C1b C    26.3866  -17.9653
            28  C1d C    27.6498  -17.2635
            29  C1a C    28.8428  -17.9653
            30  C1a C    22.0357  -16.0705
            31  C1a C    23.4392  -16.0705
            32  C1a C    26.9481  -16.0705
            33  C1a C    28.3516  -16.0705
            34  X   F    13.1934  -13.0529
            35  X   F     8.4214  -13.0529
            36  X   Br   23.3100  -13.1600
            37  X   Br   26.4600  -13.0900
BOND        37
            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     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    1  10 1
            12    4  11 1 #Up
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   12  16 1 #Up
            18   16  17 1
            19   17  18 1
            20   13  19 2
            21   20  21 2
            22   21  22 1
            23   22  23 1
            24   23  15 2
            25   15  20 1
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   24  30 1
            33   24  31 1
            34   28  32 1
            35   28  33 1
            36    7  34 1
            37    9  35 1

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