KEGG   DRUG: Avacopan
Entry
D11093                      Drug                                   

Name
Avacopan (JAN/USAN/INN)
Formula
C33H35F4N3O2
Exact mass
581.2665
Mol weight
581.6435
Structure
Efficacy
Anti-inflammatory, Complement C5a receptor antagonist
Comment
Treatment of anti-neutrophil cytoplasmic antibody (ANCA)-associated vasculitis
Target
C5AR1 (CD88) [HSA:728] [KO:K04010]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
Brite
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Other cell surface molecules
   CD molecules
    C5AR1 (CD88)
     D11093  Avacopan (JAN/USAN/INN)
Other DBs
CAS: 1346623-17-3
PubChem: 376219018
ChEMBL: CHEMBL3989871
PDB-CCD: EFD[PDBj]
LinkDB
KCF data

ATOM        42
            1   N1y N    15.8200  -18.9700
            2   C1x C    15.8200  -20.3700
            3   C1x C    17.0324  -21.0700
            4   C1x C    18.2449  -20.3700
            5   C1y C    18.2449  -18.9700
            6   C1y C    17.0324  -18.2700
            7   C5a C    14.6076  -18.2700
            8   C8y C    13.4121  -18.9604
            9   C8y C    12.2247  -18.2749
            10  C8x C    11.0123  -18.9750
            11  C8x C    11.0124  -20.3750
            12  C8x C    12.1997  -21.0604
            13  C8y C    13.4121  -20.3604
            14  X   F    14.6496  -21.0749
            15  C1a C    12.2246  -16.8702
            16  O5a O    14.6075  -16.8702
            17  C8y C    17.0324  -16.8702
            18  C8x C    18.2280  -16.1797
            19  C8x C    18.2278  -14.7797
            20  C8y C    17.0153  -14.0799
            21  C8x C    15.8198  -14.7703
            22  C8x C    15.8199  -16.1703
            23  N1b N    17.0152  -12.6700
            24  C1y C    18.2237  -11.9722
            25  C1x C    19.5444  -12.3607
            26  C1x C    20.3250  -11.2257
            27  C1x C    19.4868  -10.1326
            28  C1x C    18.1881  -10.5920
            29  C5a C    19.4760  -18.2590
            30  N1b N    20.6812  -18.9547
            31  C8y C    21.8635  -18.2719
            32  O5a O    19.4757  -16.8701
            33  C8x C    23.0575  -18.9612
            34  C8y C    24.2699  -18.2612
            35  C8y C    24.2699  -16.8612
            36  C8x C    23.0760  -16.1719
            37  C8x C    21.8635  -16.8719
            38  C1a C    25.4934  -16.1546
            39  C1d C    25.5012  -18.9722
            40  X   F    26.6967  -19.6625
            41  X   F    26.2012  -17.7597
            42  X   F    24.8012  -20.1846
BOND        46
            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     1   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   13  14 1
            16    9  15 1
            17    7  16 2
            18    6  17 1 #Up
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   24  28 1
            32    5  29 1 #Up
            33   29  30 1
            34   30  31 1
            35   29  32 2
            36   31  33 2
            37   33  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   31  37 1
            42   35  38 1
            43   34  39 1
            44   39  40 1
            45   39  41 1
            46   39  42 1

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