| Entry |
|
|---|
| Name |
Orteronel (JAN/USAN) |
|---|
| Formula |
C18H17N3O2
|
|---|
| Exact mass |
307.1321
|
|---|
| Mol weight |
307.3465
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Androgen synthesis inhibitor |
|---|
| Comment |
Treatment of prostate cancer
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP17A1
D10146 Orteronel (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8x C 20.5800 -25.7600
2 C8y C 20.5800 -24.3600
3 N4y N 19.2500 -23.9400
4 C8x C 18.4100 -25.0600
5 N5x N 19.2500 -26.1800
6 C1z C 21.4200 -23.2400
7 C1x C 20.5800 -22.1200
8 C1x C 19.2500 -22.5400
9 C8y C 25.0600 -22.5400
10 C8y C 25.0600 -21.1400
11 C8x C 23.8700 -20.4400
12 C8x C 22.6100 -21.1400
13 C8y C 22.6100 -22.5400
14 C8x C 23.8700 -23.2400
15 C8x C 26.2500 -23.2400
16 C8x C 27.5100 -22.5400
17 C8y C 27.5100 -21.1400
18 C8x C 26.2500 -20.4400
19 C5a C 28.7000 -20.4400
20 N1b N 29.9600 -21.1400
21 C1a C 31.1500 -20.3700
22 O5a O 28.7000 -19.0400
23 O1a O 22.3300 -24.2900
BOND 26
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 2 6 1
7 6 7 1
8 7 8 1
9 3 8 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 9 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 10 18 1
21 6 13 1 #Down
22 17 19 1
23 19 20 1
24 20 21 1
25 19 22 2
26 6 23 1 #Up
|
|---|
