KEGG   DRUG: Nafoxidine hydrochloride
Entry
D05106                      Drug                                   
Name
Nafoxidine hydrochloride (USAN)
Formula
C29H31NO2. HCl
Exact mass
461.2122
Mol weight
462.02
Structure
Simcomp
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
  DG01620  Tamoxifene-type antineoplastic
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Efficacy
Antineoplastic, Selective estrogen receptor modulator (SERM)
Comment
non-steroidal estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    D05106  Nafoxidine hydrochloride
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   D05106  Nafoxidine hydrochloride
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D05106  Nafoxidine hydrochloride (USAN)
Other DBs
CAS: 1847-63-8
PubChem: 47206831
LigandBox: D05106
NIKKAJI: J327.482I
LinkDB
KCF data

ATOM        33
            1   X   Cl   29.4000  -22.8900
            2   C1x C    13.9300  -19.4600
            3   C8y C    13.9300  -20.8600
            4   C8y C    15.1424  -21.5600
            5   C2y C    16.3549  -20.8600
            6   C2y C    16.3549  -19.4600
            7   C1x C    15.1424  -18.7600
            8   C8x C    12.7176  -21.5600
            9   C8y C    12.7176  -22.9600
            10  C8x C    13.9300  -23.6600
            11  C8x C    15.1424  -22.9600
            12  C8y C    17.5860  -21.5710
            13  C8x C    17.5857  -22.9599
            14  C8x C    18.7980  -23.6602
            15  C8y C    20.0106  -22.9605
            16  C8x C    20.0109  -21.5716
            17  C8x C    18.7986  -20.8713
            18  C8y C    17.5860  -18.7490
            19  C8x C    18.7912  -19.4447
            20  C8x C    20.0035  -18.7446
            21  C8x C    20.0035  -17.3446
            22  C8x C    18.7983  -16.6489
            23  C8x C    17.5859  -17.3490
            24  O2a O    21.2324  -23.6600
            25  C1b C    22.4449  -22.9600
            26  C1b C    23.6573  -23.6600
            27  N1y N    24.8697  -22.9600
            28  C1x C    25.9876  -23.7760
            29  C1x C    27.1053  -22.9633
            30  C1x C    26.6779  -21.6492
            31  C1x C    25.2959  -21.6496
            32  O2a O    11.5221  -23.6504
            33  C1a C    10.3347  -22.9649
BOND        36
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     2   7 1
            7     3   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    4  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   12  17 2
            19    6  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   15  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   27  31 1
            35    9  32 1
            36   32  33 1

» Japanese version   » Back

DBGET integrated database retrieval system