| Entry |
|
|---|
| Name |
Nilutamide (USAN/INN);
Nilandron (TN)
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| Product |
|
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| Formula |
C12H10F3N3O4
|
|---|
| Exact mass |
317.0623
|
|---|
| Mol weight |
317.2207
|
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| Structure |
     |
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| Activity |
Antineoplastic, Antiandrogen [DS: H00024]
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| Remark |
|
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| Comment |
Indicaction: Metastatic prostate cancer
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| Target |
androgen receptor antagonist [HSA: 367] [KO: K08557] |
|---|
| Pathway |
|
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| Metabolism |
Enzyme: CYP2C19 [HSA: 1557]
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| Interaction |
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| Structure map |
| Antineoplastics - hormones | | Progesterone, androgen and estrogen receptor agonists/antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02B HORMONE ANTAGONISTS AND RELATED AGENTS
L02BB Anti-androgens
L02BB02 Nilutamide
D00965 Nilutamide (USAN/INN)
USP drug classification [BR:br08302]
Hormonal Agents
Hormonal Agents, Suppressant (Sex Hormones/ Modifiers)
Antiandrogens
Nilutamide
D00965 Nilutamide (USAN/INN)
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
androgen receptor [HSA:367] [KO:K08557]
Nilutamide [ATC:L02BB02]
D00965 Nilutamide (USAN/INN)
Antineoplastics [BR:br08308]
Hormones and hormone antagonist
Androgen antagonist
Nilutamide [ATC:L02BB02]
D00965 Nilutamide (USAN/INN)
 |
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| Other DBs |
CAS: 63612-50-0 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 22
1 N1y N 34.9300 -18.0600
2 C8y C 36.1200 -18.7600
3 C5x C 33.7400 -18.8300
4 C5x C 34.5800 -16.6600
5 C8x C 36.1200 -20.1600
6 C8x C 37.3800 -18.0600
7 C1z C 32.6900 -17.9200
8 O5x O 33.7400 -20.2300
9 N1x N 33.1800 -16.6600
10 O5x O 35.5600 -15.6800
11 C8x C 37.3800 -20.8600
12 C8y C 38.5700 -18.7600
13 C1a C 31.7100 -16.9400
14 C1a C 31.5000 -18.6200
15 C8y C 38.5700 -20.1600
16 N2b N 39.7600 -20.8600 #+
17 O3a O 39.7600 -22.2600
18 O3a O 41.0200 -20.1600 #-
19 C1d C 39.7853 -18.0649
20 X F 40.9977 -17.3649
21 X F 39.0853 -16.8525
22 X F 40.4853 -19.2774
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 7 14 1
14 11 15 2
15 15 16 1
16 16 17 2
17 16 18 1
18 7 9 1
19 12 15 1
20 12 19 1
21 19 20 1
22 19 21 1
23 19 22 1
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