KEGG   DRUG: Plomestane
Entry
D03749                      Drug                                   
Name
Plomestane (USAN/INN)
Formula
C21H26O2
Exact mass
310.1933
Mol weight
310.4299
Structure
Simcomp
Class
Antineoplastic
 DG01596  Aromatase inhibitor
Efficacy
Antineoplastic, Estrogen biosynthesis inhibitor
Comment
Aromatase inhibitor
Target
CYP19A1 (ARO) [HSA:1588] [KO:K07434]
  Pathway
hsa00140  Steroid hormone biosynthesis
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01596  Aromatase inhibitor
   D03749  Plomestane
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP19A1 (ARO)
     D03749  Plomestane (USAN/INN)
Other DBs
CAS: 77016-85-4
PubChem: 17397838
LigandBox: D03749
NIKKAJI: J390.645K
KCF data

ATOM        23
            1   C1y C    35.1909  -19.6974
            2   C1y C    34.0693  -18.9964
            3   C1y C    36.3826  -18.9964
            4   C1x C    35.1909  -21.0994
            5   C1z C    32.8776  -19.6974
            6   C1x C    34.0693  -17.6645
            7   C1z C    36.3826  -17.6645
            8   C1x C    38.7661  -18.9965
            9   C1x C    33.9992  -21.7304
            10  C2y C    32.8776  -21.0994
            11  C1x C    31.6858  -18.9964
            12  C1b C    32.8775  -18.3655
            13  C1x C    35.2610  -16.9635
            14  C5x C    37.5743  -16.9635
            15  C1a C    36.3826  -16.3326
            16  C1x C    38.7661  -17.6645
            17  C2x C    31.6858  -21.7304
            18  C1x C    30.4941  -19.6974
            19  O5x O    37.5743  -15.6316
            20  C5x C    30.4941  -21.0994
            21  O5x O    29.3024  -21.7304
            22  C3b C    31.6281  -17.7293
            23  C3a C    30.4139  -17.0283
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 2
            17   11  18 1
            18   14  19 2
            19   17  20 1
            20   20  21 2
            21    7  13 1
            22    9  10 1
            23   14  16 1
            24   18  20 1
            25   12  22 1
            26   22  23 3

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