KEGG   DRUG: Aticaprant
Entry
D11831                      Drug                                   
Name
Aticaprant (USAN/INN)
Formula
C26H27FN2O2
Exact mass
418.2057
Mol weight
418.50
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
   D11831  Aticaprant
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D11831  Aticaprant (USAN/INN)
Other DBs
CAS: 1174130-61-0
PubChem: 433774506
LinkDB
KCF data

ATOM        31
            1   C8y C    18.4800  -16.4500
            2   C8y C    18.4800  -17.8500
            3   C8x C    19.6700  -18.5500
            4   C8y C    20.9300  -17.8500
            5   C8x C    20.9300  -16.4500
            6   C8x C    19.6700  -15.7500
            7   O2a O    17.2900  -15.7500
            8   C8y C    16.1000  -16.4500
            9   C8x C    14.9100  -15.7500
            10  C8x C    13.6500  -16.4500
            11  C8y C    13.6500  -17.8500
            12  C8x C    14.8400  -18.5500
            13  C8x C    16.1000  -17.8500
            14  C1b C    12.4600  -18.5500
            15  N1y N    11.2700  -17.8500
            16  C8x C     8.9600  -20.7900
            17  C8y C     8.9600  -22.1900
            18  C8x C    10.1500  -22.8900
            19  C8y C    11.4100  -22.1900
            20  C8x C    11.4100  -20.7900
            21  C8y C    10.1500  -20.0900
            22  C1y C    10.1500  -18.6900
            23  C1x C    10.8500  -16.5900
            24  C1x C     9.4500  -16.5900
            25  C1x C     9.0300  -17.8500
            26  C1a C    12.6166  -22.9000
            27  C1a C     7.7447  -22.8851
            28  C5a C    22.1366  -18.5600
            29  N1a N    23.3463  -17.8747
            30  O5a O    22.1251  -19.9500
            31  X   F    17.2647  -18.5451
BOND        34
            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   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   22  21 1 #Down
            24   22  15 1
            25   15  23 1
            26   23  24 1
            27   24  25 1
            28   22  25 1
            29   19  26 1
            30   17  27 1
            31    4  28 1
            32   28  29 1
            33   28  30 2
            34    2  31 1

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