Ruxolitinib phosphate

Entry

D09960                      Drug

Name

Ruxolitinib phosphate (JAN/USAN);
Jakafi (TN);
Jakavi (TN);
Opzelura (TN)

Product

OPZELURA (Incyte Corporation), JAKAFI (Incyte Corporation)

Formula

C17H18N6. H3PO4

Exact mass

404.1362

Mol weight

404.3602

Structure

Simcomp

Class

Anti-inflammatory
DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Metabolizing enzyme substrate
DG01642  CYP2C9 substrate
DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate

Remark

Therapeutic category:

4291

ATC code:

L01EJ01

Chemical structure group:

DG00719

Product (DG00719):

D09960<JP/US>

Efficacy

Antineoplastic, Janus kinase (JAK) inhibitor

Disease

Myelofibrosis [DS:H01605]
Polycythemia vera [DS:H00012]
Acute graft-versus-host disease [DS:H00084]
Chronic graft-versus-host disease [DS:H00084]
Atopic dermatitis [DS:H01358]
Nonsegmental vitiligo [DS:H01372]

Target

JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]

Pathway

hsa04062

Chemokine signaling pathway

hsa04630

JAK-STAT signaling pathway

hsa05200

Pathways in cancer

Metabolism

Enzyme: CYP3A4 [HSA:1576]; CYP2C9 [HSA:1559]

Interaction

Structure map

map07045

Antineoplastics - protein kinase inhibitors

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
     L01EJ01 Ruxolitinib
      D09960  Ruxolitinib phosphate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
Antineoplastics
  Molecular Target Inhibitors
   Ruxolitinib
    D09960  Ruxolitinib phosphate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09960  Ruxolitinib phosphate (JAN/USAN)
Drug groups [BR:br08330]
Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG00719  Ruxolitinib
     D09960  Ruxolitinib phosphate
Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00719  Ruxolitinib
    D09960  Ruxolitinib phosphate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00719  Ruxolitinib
     D09960  Ruxolitinib phosphate
Drug classes [BR:br08332]
Immunological agent
  DG02020  JAK inhibitor
   D09960  Ruxolitinib phosphate
Antirheumatic agent
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D09960  Ruxolitinib phosphate
Target-based classification of drugs [BR:br08310]
Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D09960  Ruxolitinib phosphate (JAN/USAN) <JP/US>
    JAK2
     D09960  Ruxolitinib phosphate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
  D09960
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
  D09960
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
  D09960
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
  D09960
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
  D09960
Drug groups [BR:br08330]
Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG00719  Ruxolitinib
Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00719  Ruxolitinib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00719  Ruxolitinib

Other DBs

CAS:	1092939-17-7

PubChem:

135626685

ChEBI:

66917

LigandBox:

D09960

KCF data

ATOM        28
            1   C8x C    28.7700  -22.8200
            2   N5x N    28.7700  -24.2200
            3   C8y C    29.9600  -24.9200
            4   C8y C    31.2200  -24.2200
            5   C8y C    31.2200  -22.8200
            6   N5x N    29.9600  -22.1200
            7   C8x C    32.5500  -24.6400
            8   C8x C    33.3200  -23.5200
            9   N4x N    32.5500  -22.4000
            10  C8y C    29.9600  -26.3200
            11  C8x C    28.8400  -27.1600
            12  N4y N    29.2600  -28.4900
            13  N5x N    30.6600  -28.4900
            14  C8x C    31.1500  -27.1600
            15  C1b C    26.8800  -28.4900
            16  C1c C    28.0700  -29.1900
            17  C1y C    28.0700  -30.5900
            18  C3b C    26.8800  -27.0900
            19  N3a N    26.8800  -25.6900
            20  C1x C    26.9500  -31.4300
            21  C1x C    27.3700  -32.7600
            22  C1x C    28.7700  -32.7600
            23  C1x C    29.1900  -31.4300
            24  O1c O    34.0900  -27.9300
            25  P1b P    35.4900  -27.9300
            26  O1c O    36.8900  -27.9300
            27  O1c O    35.4900  -26.5300
            28  O1c O    35.4900  -29.3300
BOND        30
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    3  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   15  16 1
            18   16  12 1
            19   16  17 1 #Up
            20   15  18 1
            21   18  19 3
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   17  23 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
            30   25  28 1