Ozanimod hydrochloride


Entry
D10967                      Drug                                   
Name
Ozanimod hydrochloride (JAN/USAN);
Zeposia (TN)
Product
ZEPOSIA (Celgene Corporation)
Formula
C23H24N4O3. HCl
Exact mass
440.1615
Mol weight
440.9226
Structure
Simcomp
Remark
ATC code: L04AA38
Chemical structure group: DG02827
Product (DG02827): D10967<US>
Efficacy
Anti-ulcerative, Sphingosine-1-phosphate receptor modulator
  Disease
Multiple sclerosis [DS:H01490]
Comment
Treatment of relapsing multiple sclerosis, ulcerative colitis
Target
S1PR [HSA:1901 9294 1903 8698 53637] [KO:K04288 K04292 K04290 K04293 K04295]
  Pathway
hsa04071  Sphingolipid signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA38 Ozanimod
      D10967  Ozanimod hydrochloride (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Multiple Sclerosis Agents
   Ozanimod
    D10967  Ozanimod hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Sphingolipid
    S1PR
     D10967  Ozanimod hydrochloride (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10967
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10967
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10967
Other DBs
CAS: 1618636-37-5
PubChem: 342581816
KCF data

ATOM        31
            1   C8x C    13.0334  -14.9288
            2   C8y C    13.0334  -16.3306
            3   C8y C    14.2474  -17.0316
            4   C8x C    15.4614  -16.3306
            5   C8y C    15.4614  -14.9288
            6   C8x C    14.2474  -14.2279
            7   C3b C    14.2474  -18.4334
            8   N3a N    14.2474  -19.8352
            9   O2a O    11.8194  -17.0316
            10  C1c C    10.6224  -16.3403
            11  C1a C     9.4335  -17.0266
            12  C1a C    10.6223  -14.9291
            13  C8y C    16.6941  -14.2169
            14  N5x N    17.9654  -14.7828
            15  C8y C    18.8965  -13.7486
            16  N5x N    18.2007  -12.5436
            17  O2x O    16.8395  -12.8329
            18  C8y C    20.2983  -13.7486
            19  C8y C    21.0003  -14.9646
            20  C8y C    22.4021  -14.9646
            21  C8x C    23.1030  -13.7506
            22  C8x C    22.4011  -12.5346
            23  C8x C    20.9993  -12.5346
            24  C1x C    20.5670  -16.2977
            25  C1x C    21.7011  -17.1218
            26  C1y C    22.8353  -16.2978
            27  N1b N    24.1877  -16.7369
            28  C1b C    25.3918  -16.0503
            29  C1b C    26.6058  -16.7512
            30  O1a O    27.8198  -16.0503
            31  X   Cl   18.8300  -19.3900
BOND        33
            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     3   7 1
            8     7   8 3
            9     2   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 1
            13    5  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   13  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   18  23 2
            26   19  24 1
            27   24  25 1
            28   25  26 1
            29   20  26 1
            30   26  27 1 #Up
            31   27  28 1
            32   28  29 1
            33   29  30 1