KEGG   DRUG: D10022Help
Entry
D10022                      Drug                                   

Name
Pexacerfont (USAN/INN)
Formula
C18H24N6O
Exact mass
340.2012
Mol weight
340.4228
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of major depressive disorder, enxiety and irritable bowel syndrome (IBS)
Target
corticotropin releasing hormone receptor 1 (CRF1) antagonist [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
    corticotropin releasing hormone receptor 1
     Pexacerfont
      D10022  Pexacerfont (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
459856-18-9
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    20.8600  -19.9500
            2   N5x N    20.8600  -21.3500
            3   C8y C    22.0724  -22.0500
            4   N5x N    23.2849  -21.3500
            5   C8y C    23.2849  -19.9500
            6   N4y N    22.0724  -19.2500
            7   C8y C    24.3253  -19.0132
            8   C8y C    23.7559  -17.7342
            9   N5x N    22.3635  -17.8806
            10  C8y C    25.7253  -19.0132
            11  C8y C    26.4451  -20.2609
            12  N5x N    27.8451  -20.2614
            13  C8y C    28.5455  -19.0492
            14  C8x C    27.8257  -17.8015
            15  C8x C    26.4257  -17.8010
            16  C1a C    25.7617  -21.4434
            17  O2a O    29.9600  -19.0498
            18  C1a C    30.6647  -17.8303
            19  C1a C    24.4598  -16.5153
            20  C1a C    22.0724  -23.4498
            21  N1b N    19.6476  -19.2500
            22  C1c C    18.4521  -19.9404
            23  C1b C    17.2647  -19.2549
            24  C1a C    16.0735  -19.9429
            25  C1a C    18.4520  -21.3497
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    6   9 1
            11    7  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   11  16 1
            19   13  17 1
            20   17  18 1
            21    8  19 1
            22    3  20 1
            23    1  21 1
            24   21  22 1
            25   22  23 1 #Down
            26   23  24 1
            27   22  25 1

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