KEGG   DRUG: Mocravimod hydrochloride
Entry
D12772                      Drug                                   
Name
Mocravimod hydrochloride (USAN)
Formula
C24H26ClNO3S. HCl
Exact mass
479.1089
Mol weight
480.45
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
     D12772  Mocravimod hydrochloride (USAN)
Other DBs
CAS: 509088-69-1
PubChem: 497621185
LinkDB
KCF data

ATOM        31
            1   C8x C     9.0997  -17.5694
            2   C8x C     9.0997  -18.9693
            3   C8x C    10.3596  -19.6693
            4   C8x C    11.5496  -18.9693
            5   C8y C    11.5496  -17.5694
            6   C8x C    10.3596  -16.8694
            7   C1b C    12.8095  -16.8694
            8   O2a O    13.9995  -17.5694
            9   C8y C    15.1895  -16.8694
            10  C8x C    16.3794  -17.5694
            11  C8y C    17.5694  -16.8694
            12  C8x C    17.5694  -15.4695
            13  C8x C    16.3794  -14.7695
            14  C8x C    15.1895  -15.4695
            15  S2a S    18.8293  -17.5694
            16  C8y C    20.0193  -16.8694
            17  C8x C    21.2093  -17.5694
            18  C8y C    22.4692  -16.8694
            19  C8y C    22.4692  -15.4695
            20  C8x C    21.2793  -14.7695
            21  C8x C    20.0193  -15.4695
            22  X   Cl   23.6592  -17.5694
            23  C1b C    23.6592  -14.7695
            24  C1b C    24.8491  -15.4695
            25  C1d C    26.0391  -14.7695
            26  N1a N    27.2990  -14.0695
            27  C1b C    25.3391  -13.5095
            28  C1b C    26.7391  -15.9594
            29  O1a O    28.1390  -15.9594
            30  O1a O    26.0391  -12.3196
            31  X   Cl   28.5600  -19.6000
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

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