KEGG   DRUG: Mocravimod
Entry
D12771                      Drug                                   
Name
Mocravimod (USAN/INN)
Formula
C24H26ClNO3S
Exact mass
443.1322
Mol weight
443.99
Structure
Remark
Chemical structure group: DG03288
Efficacy
Immunomodulator, Sphingosine 1-phosphate receptor agonist
Comment
For use in combination with allogeneic hematopoeitic cell transplantation as postremission therapy for hematological malignancies
Target
S1PR1 [HSA:1901] [KO:K04288]
  Pathway
hsa04068  FoxO signaling pathway
hsa04071  Sphingolipid signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04148  Efferocytosis
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Sphingolipid
    S1PR1
     D12771  Mocravimod (USAN/INN)
Other DBs
CAS: 509092-16-4
PubChem: 497621184
LinkDB
KCF data

ATOM        30
            1   C8x C     2.7300  -17.2900
            2   C8x C     2.7300  -18.6900
            3   C8x C     3.9424  -19.3900
            4   C8x C     5.1549  -18.6900
            5   C8y C     5.1549  -17.2900
            6   C8x C     3.9424  -16.5900
            7   C1b C     6.3860  -16.5790
            8   O2a O     7.5912  -17.2747
            9   C8y C     8.7735  -16.5919
            10  C8x C     9.9675  -17.2812
            11  C8y C    11.1799  -16.5812
            12  C8x C    11.1799  -15.1812
            13  C8x C     9.9860  -14.4919
            14  C8x C     8.7735  -15.1919
            15  S2a S    12.4112  -17.2922
            16  C8y C    13.6086  -16.6007
            17  C8x C    14.7949  -17.2857
            18  C8y C    16.0074  -16.5857
            19  C8y C    16.0074  -15.1857
            20  C8x C    14.8210  -14.5007
            21  C8x C    13.6086  -15.2007
            22  X   Cl   17.2386  -17.2966
            23  C1b C    17.2347  -14.4768
            24  C1b C    18.4418  -15.1736
            25  C1d C    19.6232  -14.4913
            26  N1a N    20.8356  -13.7913
            27  C1b C    18.9170  -13.2679
            28  C1b C    20.3167  -15.6927
            29  O1a O    21.6999  -15.6926
            30  O1a O    19.5991  -12.0871
BOND        32
            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     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   11  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   18  22 1
            25   19  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 1
            30   25  28 1
            31   28  29 1
            32   27  30 1

» Japanese version   » Back

DBGET integrated database retrieval system