KEGG   DRUG: Indorenate hydrochlorideHelp
Entry
D04533                      Drug                                   

Name
Indorenate hydrochloride (USAN)
Formula
C13H16N2O3. HCl
Exact mass
284.0928
Mol weight
284.7387
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Analgesic
 DG01484  5-HT1B-receptor agonist
 DG01485  5-HT1D-receptor agonist
 DG01518  5-HT1B/1D-receptor agonist
Efficacy
Antihypertensive, Serotonin receptor agonist
Target
HTR1 [HSA:3350 3351 3352 3354 3355] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1
     D04533  Indorenate hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 72318-55-9
PubChem: 47206380
ChEMBL: CHEMBL1203765
LigandBox: D04533
KCF data Show

ATOM        19
            1   C8x C    27.1960  -16.8585
            2   C8y C    27.1960  -15.4538
            3   C8x C    28.3901  -14.7514
            4   C8y C    29.6543  -15.4538
            5   C8y C    29.6543  -16.8585
            6   C8x C    28.3901  -17.5609
            7   C8y C    30.9888  -15.0324
            8   C8x C    31.7614  -16.1562
            9   N4x N    30.9888  -17.2800
            10  O2a O    26.0020  -14.7514
            11  C1a C    24.8080  -15.4538
            12  C1c C    30.9888  -13.6324
            13  C7a C    32.2092  -12.9276
            14  C1b C    29.7998  -12.9461
            15  N1a N    28.6010  -13.6386
            16  O7a O    33.4244  -13.6289
            17  C1a C    34.6018  -12.9489
            18  O6a O    32.2089  -11.5500
            19  X   Cl   35.9054  -17.2800
BOND        19
            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 2
            9     8   9 1
            10    5   9 1
            11    2  10 1
            12   10  11 1
            13    7  12 1
            14   12  13 1
            15   12  14 1
            16   14  15 1
            17   13  16 1
            18   16  17 1
            19   13  18 2

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