KEGG   DRUG: IndeloxazineHelp
Entry
D08077                      Drug                                   

Name
Indeloxazine (INN)
Formula
C14H17NO2
Exact mass
231.1259
Mol weight
231.2903
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C10918
Chemical structure group: DG02869
Efficacy
Antidepressant
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04726  Serotonergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D08077  Indeloxazine (INN)
    SLC6A4 (HTT)
     D08077  Indeloxazine (INN)
BRITE hierarchy
Other DBs
CAS: 60929-23-9
PubChem: 96024767
ChEBI: 5894
ChEMBL: CHEMBL2105022
LigandBox: D08077
NIKKAJI: J23.658F
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8x C    23.6600  -16.1700
            2   C8x C    23.6600  -17.5700
            3   C8y C    24.9200  -18.2700
            4   C8x C    24.9200  -15.4700
            5   C8y C    26.1100  -16.1700
            6   C8y C    26.1100  -17.5700
            7   C1x C    27.4400  -17.9900
            8   C2x C    28.2800  -16.8700
            9   C2x C    27.4400  -15.7500
            10  O2a O    24.9200  -19.6700
            11  C1b C    23.6600  -20.3700
            12  C1y C    22.4700  -19.6700
            13  C1x C    22.4700  -18.2700
            14  N1x N    21.2800  -17.5700
            15  C1x C    20.0900  -18.2700
            16  C1x C    20.0900  -19.6700
            17  O2x O    21.2800  -20.3700
BOND        19
            1     7   8 1
            2     8   9 2
            3     9   5 1
            4     4   1 2
            5     3  10 1
            6    10  11 1
            7     1   2 1
            8    11  12 1
            9     2   3 2
            10    3   6 1
            11    5   4 1
            12    5   6 2
            13    6   7 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  12 1

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