KEGG   DRUG: Alfatradiol
Entry
D07121                      Drug                                   

Name
Alfatradiol (INN);
17alpha-Estradiol
Formula
C18H24O2
Exact mass
272.1776
Mol weight
272.382
Structure
Simcomp
Remark
Same as: C02537
Efficacy
5alpha-Reductase inhibitor
Comment
Topical treatment of androgenetic alopecia
Target
SRD5A1 [HSA:6715] [KO:K12343]
SRD5A2 [HSA:6716] [KO:K12344]
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa04915  Estrogen signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07121  Alfatradiol (INN)
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    SRD5A1
     D07121  Alfatradiol (INN)
    SRD5A2
     D07121  Alfatradiol (INN)
Other DBs
CAS: 57-91-0
PubChem: 51091460
ChEBI: 17160
ChEMBL: CHEMBL286452
LigandBox: D07121
NIKKAJI: J4.586A
KCF data

ATOM        20
            1   C8x C    23.3823  -19.4750
            2   C8y C    23.3823  -20.8380
            3   C8x C    24.5627  -21.5196
            4   C8y C    25.7432  -20.8380
            5   C8y C    25.7432  -19.4750
            6   C8x C    24.5627  -18.7935
            7   C1x C    26.9236  -21.5196
            8   C1x C    28.1040  -20.8380
            9   C1y C    28.1040  -19.4750
            10  C1y C    26.9236  -18.7935
            11  C1y C    29.2845  -18.7935
            12  C1z C    29.2845  -17.4304
            13  C1x C    28.1040  -16.7489
            14  C1x C    26.9236  -17.4304
            15  C1x C    31.6453  -18.7935
            16  C1x C    31.6453  -17.4304
            17  C1y C    30.4649  -16.7489
            18  O1a O    22.2019  -21.5196
            19  C1a C    29.2845  -16.0674
            20  O1a O    30.4651  -15.3301
BOND        23
            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 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1
            22   12  19 1 #Up
            23   17  20 1 #Down

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