KEGG   DRUG: Naluzotan
Entry
D09358                      Drug                                   
Name
Naluzotan (USAN/INN)
Formula
C23H38N4O3S
Exact mass
450.2665
Mol weight
450.64
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Remark
Chemical structure group: DG01279
Efficacy
Antianxiety, Antidepressant, Serotonin 5-HT1A receptor agonist
Comment
Treatment of psychiatric disorders
Target
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG01279  Naluzotan
    D09358  Naluzotan
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D09358  Naluzotan (USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG01279  Naluzotan
Other DBs
CAS: 740873-06-7
PubChem: 96026038
LigandBox: D09358
LinkDB
KCF data

ATOM        31
            1   C8x C    14.0700  -14.9800
            2   C8y C    14.0700  -16.3800
            3   C8x C    12.8800  -17.0800
            4   C8y C    11.6200  -16.3800
            5   C8x C    11.6200  -14.9800
            6   C8x C    12.8800  -14.2800
            7   N1b N    10.4300  -17.0800
            8   C5a C     9.2400  -16.3800
            9   C1a C     8.0500  -17.0800
            10  O5a O     9.2400  -14.9800
            11  N1y N    15.2600  -17.0800
            12  C1x C    16.4500  -16.3800
            13  C1x C    17.7100  -17.0800
            14  N1y N    17.7100  -18.4800
            15  C1x C    16.5200  -19.1800
            16  C1x C    15.2600  -18.4800
            17  C1b C    18.9000  -19.1800
            18  C1b C    20.0900  -18.4800
            19  C1b C    21.2800  -19.1800
            20  C1b C    22.4700  -18.4800
            21  N1b N    23.6600  -19.1800
            22  S4a S    24.8500  -18.4800
            23  C1b C    26.0400  -19.1800
            24  C1y C    27.2300  -18.4800
            25  C1x C    27.2300  -17.0800
            26  C1x C    28.4900  -16.3800
            27  C1x C    29.6800  -17.0800
            28  C1x C    29.6800  -18.4800
            29  C1x C    28.4900  -19.1800
            30  O3c O    25.9000  -17.5000
            31  O3c O    23.7300  -17.4300
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     4   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   24  29 1
            32   22  30 2
            33   22  31 2

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