| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 22 | No |
Popular Name: Nilutamide Nilutamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 63612-50-0 , [63612-50-0]
1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione
2,4-IMIDAZOLIDINEDIONE, 5,5-DIMETHYL-3-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)-
2,4-Imidazolidinedione, 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-
5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)- 2,4-imidazolidinedione
5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione
5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione
5,5-Dimethyl-3-(4-nitro-3-trifluoromethyl-phenyl)-imidazolidine-2,4-dione
5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin
5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin; Nilutamide
5,5-Dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2,4-imidazolidinedione
5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
63612-50-0; C08164; Nilutamide
63612-50-0; D00965; Nilandron (TN); Nilutamide (USAN/INN)
Aventis Behring Brand of Nilutamide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.46 | 5.34 | -9.69 | 1 | 7 | 0 | 95 | 317.223 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antineoplastic agent | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 4.19e-03 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| mechanism | Androgen receptor blocker, preventing its interaction with testosterone | IBScreen Bioactives |
| Therapy | antiandrogen | SMDC Iconix |
| biological_use | Antineoplastic agent | IBScreen Bioactives IBScreen Bioactives |
| Patent Database Links | EP1738759; EP1832576; EP1988098; US2005009845; US2005101646; US2005124621; US2005159420; US2005192310; US2005197339; US2005222153; US2006014745; US2006035945; US2006058304; US2006079518; US2006135576; US2006135619; US2006217369; US2006264438; US2006270643 | ChEBI |
| biological_use | Used for treatment of prostatic cancer | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 9 | 0.51 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 9 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
