KEGG   DRUG: Momelotinib hydrochloride hydrate
Entry
D10889                      Drug                                   
Name
Momelotinib hydrochloride hydrate (JAN);
Momelotinib dihydrochloride monohydrate;
Ojjaara (TN);
Omjjara (TN)
Product
Formula
C23H22N6O2. 2HCl. H2O
Exact mass
504.1443
Mol weight
505.39
Structure
Simcomp
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG02918  CYP2C8 substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EJ04
Chemical structure group: DG01366
Product (DG01366): D10889<JP/US>
Efficacy
Antineoplastic, Janus kinase (JAK) inhibitor
  Disease
Myelofibrosis [DS:H01605]
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK2* [HSA_VAR:3717v1] [HSA:3717] [KO:K04447]
ACVR1 (ALK2) [HSA:90] [KO:K04675]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04550  Signaling pathways regulating pluripotency of stem cells
hsa04630  JAK-STAT signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP1A2 [HSA:1544]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EJ Janus-associated kinase (JAK) inhibitors
     L01EJ04 Momelotinib
      D10889  Momelotinib hydrochloride hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Momelotinib
    D10889  Momelotinib hydrochloride hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10889  Momelotinib hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG01366  Momelotinib
     D10889  Momelotinib hydrochloride hydrate
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01366  Momelotinib
    D10889  Momelotinib hydrochloride hydrate
  DG02918  CYP2C8 substrate
   DG01366  Momelotinib
    D10889  Momelotinib hydrochloride hydrate
  DG01642  CYP2C9 substrate
   DG01366  Momelotinib
    D10889  Momelotinib hydrochloride hydrate
  DG01639  CYP2C19 substrate
   DG01366  Momelotinib
    D10889  Momelotinib hydrochloride hydrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01366  Momelotinib
     D10889  Momelotinib hydrochloride hydrate
Drug classes [BR:br08332]
 Immunological agent
  DG02020  JAK inhibitor
   D10889  Momelotinib hydrochloride hydrate
 Antirheumatic agent
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D10889  Momelotinib hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor serine/threonine kinases (RSTK)
   TGFBR1 family
    ACVR1 (ALK2)
     D10889  Momelotinib hydrochloride hydrate (JAN) <JP/US>
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10889  Momelotinib hydrochloride hydrate (JAN) <JP/US>
    JAK2
     D10889  Momelotinib hydrochloride hydrate (JAN) <JP/US>
    JAK2* [HSA_VAR:3717v1]
     D10889  Momelotinib hydrochloride hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10889
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10889
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10889
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10889
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10889
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10889
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG01366  Momelotinib
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01366  Momelotinib
  DG02918  CYP2C8 substrate
   DG01366  Momelotinib
  DG01642  CYP2C9 substrate
   DG01366  Momelotinib
  DG01639  CYP2C19 substrate
   DG01366  Momelotinib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01366  Momelotinib
Other DBs
PubChem: 336445207
LinkDB
KCF data

ATOM        34
            1   C1x C     8.3300  -18.3400
            2   O2x O     8.3300  -19.7400
            3   C1x C     9.5900  -20.4400
            4   C1x C    10.7800  -19.7400
            5   N1y N    10.7800  -18.3400
            6   C1x C     9.5900  -17.5700
            7   C8y C    12.0400  -17.5700
            8   C8x C    13.2300  -18.2700
            9   C8x C    14.4200  -17.5700
            10  C8y C    14.4200  -16.1700
            11  C8x C    13.2300  -15.4700
            12  C8x C    12.0400  -16.1700
            13  N1b N    15.6800  -15.4700
            14  C8y C    16.8700  -16.1700
            15  N5x N    16.8700  -17.5700
            16  C8x C    18.0600  -18.2700
            17  C8x C    19.3200  -17.5700
            18  C8y C    19.3200  -16.1700
            19  N5x N    18.0600  -15.4700
            20  C8y C    20.5100  -15.4700
            21  C8x C    21.7000  -16.1700
            22  C8x C    22.8900  -15.4700
            23  C8y C    22.8900  -14.0700
            24  C8x C    21.7000  -13.3700
            25  C8x C    20.5100  -14.0700
            26  C5a C    24.1500  -13.3700
            27  N1b N    25.3400  -14.0700
            28  C1b C    26.5300  -13.3700
            29  C3b C    27.7200  -14.0700
            30  O5a O    24.1500  -11.9700
            31  N3a N    28.9100  -14.7700
            32  X   Cl   26.2500  -19.1100
            33  O0  O    22.4000  -19.1800
            34  X   Cl   26.2500  -19.1100
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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   14  19 2
            22   18  20 1
            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   27  28 1
            32   28  29 1
            33   26  30 2
            34   29  31 3
BRACKET     1    24.3600  -20.1600   24.3600  -17.9200
            1    27.3000  -17.9200   27.3000  -20.1600
            1  2
 ORIGINAL  1   32
 REPEAT    1   34

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