KEGG   DRUG: Fenretinide
Entry
D04162                      Drug                                   
Name
Fenretinide (USAN/INN)
Formula
C26H33NO2
Exact mass
391.2511
Mol weight
391.5457
Structure
Class
Vitamin and mineral
 DG01604  Retinol derivative
Efficacy
Antineoplastic
Comment
A synthetic derivative of all-trans-Retinoic acid [DR:D00094]
Target
NR1B (RAR) [HSA:5914 5915 5916] [KO:K08527 K08528 K08529]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
Brite
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   D04162  Fenretinide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D04162  Fenretinide (USAN/INN)
Other DBs
CAS: 65646-68-6
PubChem: 47206108
ChEBI: 42588
PDB-CCD: FEN[PDBj]
LigandBox: D04162
NIKKAJI: J23.263G
KCF data

ATOM        29
            1   C1x C     9.3800  -20.6500
            2   C1x C     9.3800  -22.0500
            3   C1x C    10.5924  -22.7500
            4   C2y C    11.8049  -22.0500
            5   C2y C    11.8049  -20.6500
            6   C1z C    10.5924  -19.9500
            7   C1a C    11.5824  -18.9601
            8   C1a C     9.6025  -18.9601
            9   C1a C    13.0360  -22.7610
            10  C2b C    13.0360  -19.9390
            11  C2b C    14.2412  -20.6347
            12  C2c C    15.4235  -19.9519
            13  C2b C    16.6175  -20.6412
            14  C2b C    17.8054  -19.9552
            15  C1a C    15.4235  -18.5502
            16  C2b C    18.9965  -20.6429
            17  C2c C    20.1859  -19.9561
            18  C2b C    21.3762  -20.6434
            19  C5a C    22.5661  -19.9563
            20  C1a C    20.1860  -18.5502
            21  N1b N    23.7562  -20.6435
            22  O5a O    22.5661  -18.5502
            23  C8y C    24.9461  -19.9564
            24  C8x C    26.1362  -20.6435
            25  C8x C    27.3486  -19.9435
            26  C8y C    27.3487  -18.5435
            27  C8x C    26.1586  -17.8564
            28  C8x C    24.9461  -18.5564
            29  O1a O    28.5741  -17.8358
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 1
            8     6   8 1
            9     4   9 1
            10    5  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   12  15 1
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   17  20 1
            21   19  21 1
            22   19  22 2
            23   21  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   23  28 1
            30   26  29 1

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