KEGG   DRUG: Nerandomilast
Entry
D12975                      Drug                                   
Name
Nerandomilast (JAN/USAN/INN);
Jascayd (TN)
Formula
C20H25ClN6O2S
Exact mass
448.1448
Mol weight
448.97
Structure
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
 DG02924  UGT substrate
Efficacy
Antifibrotic, Anti-inflammatory, Phosphodiesterase IV inhibitor
  Disease
Idiopathic pulmonary fibrosis [DS:H01299]
Comment
Treatment of progressive fibrosing interstitial lung diseases (PF-ILD), also known as progressive pulmonary fibrosis (PPF), including idiopathic pulmonary fibrosis (IPF)
Target
PDE4B [HSA:5142] [KO:K13293]
  Pathway
hsa04024  cAMP signaling pathway
hsa04928  Parathyroid hormone synthesis, secretion and action
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; UGT [KO:K00699]
Interaction
Brite
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D12975  Nerandomilast
  DG02924  UGT substrate
   D12975  Nerandomilast
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12975
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12975
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12975
Other DBs
CAS: 1423719-30-5
PubChem: 504099491
LinkDB
KCF data

ATOM        30
            1   N5x N    21.4026  -11.6061
            2   C8y C    21.4026  -13.0048
            3   N5x N    22.5915  -13.7042
            4   C8x C    23.8503  -13.0048
            5   C8y C    23.8503  -11.6061
            6   C8x C    22.5915  -10.9068
            7   X   Cl   25.0392  -10.9068
            8   C1y C    20.2137  -13.7042
            9   C1x C    19.0248  -13.0048
            10  C1x C    17.7660  -13.7042
            11  N1y N    17.7660  -15.1029
            12  C1x C    18.9549  -15.8022
            13  C1x C    20.2137  -15.1029
            14  C8y C    16.5771  -15.8022
            15  N5x N    15.3882  -15.1029
            16  C8y C    14.1294  -15.8022
            17  C8y C    14.1294  -17.2009
            18  C8y C    15.3183  -17.9003
            19  N5x N    16.5771  -17.2009
            20  C1x C    12.8006  -15.3826
            21  C1x C    11.9614  -16.5016
            22  S2x S    12.8006  -17.6205
            23  O3c O    12.3810  -18.9493
            24  N1b N    15.3183  -19.2989
            25  C1z C    16.5072  -19.9983
            26  C1b C    15.3183  -20.6976
            27  C1x C    17.4862  -21.0473
            28  C1x C    18.4653  -20.0682
            29  C1x C    17.4862  -19.0192
            30  O1a O    15.3181  -22.1199
BOND        34
            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     5   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   16  20 1
            23   20  21 1
            24   21  22 1
            25   22  17 1 #Down
            26   22  23 2
            27   18  24 1
            28   24  25 1
            29   26  25 1
            30   27  28 1
            31   28  29 1
            32   29  25 1
            33   27  25 1
            34   26  30 1

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