KEGG   DRUG: EthylestrenolHelp
Entry
D01414                      Drug                                   

Name
Ethylestrenol (USAN/INN);
Ethylnandrol (JAN);
Orabolin (TN)
Formula
C20H32O
Exact mass
288.2453
Mol weight
288.4675
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
ATC code: A14AB02
Efficacy
Anabolic
Comment
Estren derivative
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A14 ANABOLIC AGENTS FOR SYSTEMIC USE
   A14A ANABOLIC STEROIDS
    A14AB Estren derivatives
     A14AB02 Ethylestrenol
      D01414  Ethylestrenol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D01414  Ethylestrenol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 965-90-2
PubChem: 7848477
ChEBI: 31578
ChEMBL: CHEMBL1200623
LigandBox: D01414
NIKKAJI: J3.354E
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    22.9631  -17.3408
            2   C1z C    22.9692  -15.9671
            3   C1y C    21.7743  -18.0307
            4   C1x C    25.3408  -17.3469
            5   C1z C    24.1580  -15.2772
            6   C1x C    21.7680  -15.2834
            7   C1a C    22.9199  -14.4456
            8   C1y C    20.5915  -17.3531
            9   C1x C    21.7866  -19.3982
            10  C1x C    25.3471  -15.9733
            11  C1b C    25.3101  -14.5996
            12  O1a O    24.1520  -13.9404
            13  C1x C    20.5792  -15.9794
            14  C1y C    19.4150  -18.0370
            15  C1x C    20.6038  -20.0758
            16  C2y C    19.4150  -19.3921
            17  C1x C    18.2445  -17.3715
            18  C2x C    18.2445  -20.0758
            19  C1x C    17.0803  -18.0370
            20  C1x C    17.0803  -19.3921
            21  C1a C    26.4729  -15.2586
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1 #Down
            11    5  12 1 #Up
            12    6  13 1
            13    8  14 1
            14    9  15 1
            15   14  16 1
            16   14  17 1
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20    5  10 1
            21    8  13 1
            22   15  16 1
            23   19  20 1
            24   11  21 1

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