KEGG   DRUG: Icalcaprant
Entry
D13002                      Drug                                   
Name
Icalcaprant (USAN/INN)
Formula
C23H26N4O3
Exact mass
406.2005
Mol weight
406.48
Structure
Class
Analgesic
 DG01586  Opioid receptor antagonist
Efficacy
Antidepressant, Opioid receptor antagonist
Comment
Treatment of major depressive disorder
Target
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   D13002  Icalcaprant
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D13002  Icalcaprant (USAN/INN)
Other DBs
CAS: 2227384-17-8
PubChem: 504099518
LinkDB
KCF data

ATOM        30
            1   C8y C    22.0941  -12.7897
            2   C8x C    22.0941  -14.1880
            3   C8x C    23.2826  -14.8872
            4   C8y C    24.5411  -14.1880
            5   C8x C    24.5411  -12.7897
            6   C8x C    23.2826  -12.0906
            7   O2a O    20.9055  -12.0906
            8   C8y C    19.7169  -12.7897
            9   C8x C    18.4585  -12.0906
            10  C8x C    17.2000  -12.7897
            11  C8y C    17.2000  -14.1880
            12  C8x C    18.3885  -14.8872
            13  C8x C    19.7169  -14.1880
            14  C1b C    16.0114  -14.8872
            15  N1y N    14.8228  -14.1880
            16  C8y C    13.7042  -16.4253
            17  C1y C    13.7042  -15.0270
            18  C1x C    14.4033  -12.9295
            19  C1x C    13.0050  -12.9295
            20  C1x C    12.5855  -14.1880
            21  C5a C    25.7297  -14.8872
            22  N1a N    26.9183  -14.1880
            23  O5a O    25.7297  -16.2855
            24  C8y C    12.5855  -17.2643
            25  N5x N    13.0050  -18.5927
            26  N4y N    14.4033  -18.5927
            27  C8x C    14.8228  -17.2643
            28  O2a O    11.3970  -16.5652
            29  C1a C    10.2084  -17.2643
            30  C1a C    15.2999  -19.8604
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     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   11  14 1
            16   14  15 1
            17   17  16 1 #Down
            18   17  15 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   17  20 1
            23    4  21 1
            24   21  22 1
            25   21  23 2
            26   16  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 1
            30   16  27 2
            31   28  24 1
            32   28  29 1
            33   26  30 1

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