Entry |
|
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 |
|
Pathway |
|
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 |
|
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
|