KEGG   DRUG: EmicerfontHelp
Entry
D09610                      Drug                                   

Name
Emicerfont (USAN/INN)
Formula
C22H24N6O2
Exact mass
404.1961
Mol weight
404.465
Structure
Mol fileKCF fileDB search
Efficacy
Antianxiety, Antidepressant, Corticotropin releasing hormone receptor 1 antagonist
Comment
Treatment of anxiety disorders, depression, and IBS
Target
CRHR1 [HSA:1394] [KO:K04578]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Secretin receptor family
   Corticotropin-releasing hormone
    CRHR1
     D09610  Emicerfont (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 786701-13-1
PubChem: 124490350
ChEMBL: CHEMBL514270
LigandBox: D09610
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    15.8900  -24.0100
            2   C8x C    15.8900  -25.4100
            3   C8y C    17.0800  -26.1100
            4   N5x N    18.3400  -25.4100
            5   C8y C    18.3400  -24.0100
            6   C8y C    17.0800  -23.3100
            7   N1y N    19.3900  -23.1000
            8   C1x C    18.7600  -21.7700
            9   C1x C    17.3600  -21.9100
            10  C8y C    20.5800  -23.8000
            11  C8x C    20.5800  -25.2000
            12  C8x C    21.7700  -25.9000
            13  C8y C    23.0300  -25.2000
            14  C8x C    23.0300  -23.8000
            15  C8y C    21.7700  -23.1000
            16  C1a C    21.7700  -21.7000
            17  O2a O    24.2200  -25.9000
            18  C1a C    25.4800  -25.2000
            19  N4y N    14.7000  -23.3100
            20  C8x C    14.2800  -21.9800
            21  C8x C    12.8800  -21.9800
            22  C8y C    12.4600  -23.3100
            23  N5x N    13.5800  -24.1500
            24  N1y N    11.2700  -24.0100
            25  C1x C     9.4500  -25.3400
            26  C1x C    10.8500  -25.3400
            27  C5x C    10.1500  -23.1700
            28  N1x N     9.0300  -24.0100
            29  O5x O    10.1500  -21.7700
            30  C1a C    17.0628  -27.5099
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     5   7 1
            8     7   8 1
            9     8   9 1
            10    6   9 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   10   7 1
            18   15  16 1
            19   13  17 1
            20   17  18 1
            21    1  19 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  19 1
            26   20  19 1
            27   22  24 1
            28   25  26 1
            29   26  24 1
            30   24  27 1
            31   27  28 1
            32   25  28 1
            33   27  29 2
            34    3  30 1

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