General Information of the Compound
Compound ID
CP0077490
Compound Name
5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin
    Show/Hide
Synonyms
1-(3'-Trifluoromethyl-4'-nitrophenyl)-4,4-dimethylimidazolidine-2,5-dione
5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)-2,4-imidazolidinedione
5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitro-m-tolyl)hydantoin
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
Anandron
Anandron (TN)
Aventis Behring Brand of Nilutamide
Aventis Brand of Nilutamide
Hoechst Brand of Nilutamide
N 8534
Nilandron
Nilandrone
Nilutamida
Nilutamida [Spanish]
Nilutamide
Nilutamide (USAN/INN)
Nilutamide [USAN:BAN:INN]
Nilutamide [USAN:INN:BAN]
Nilutamidum
Nilutamidum [Latin]
RU 23908
RU 23908-10
RU-23908
    Show/Hide
Structure
Formula
C12H10F3N3O4
Molecular Weight
317.223
Canonical SMILES
CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
    Show/Hide
InChI
InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
    Show/Hide
InChIKey
XWXYUMMDTVBTOU-UHFFFAOYSA-N
CAS
63612-50-0
Physicochemical Property
logP
2.4484
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
92.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 4493
SID: 14850346
ChEMBL ID
CHEMBL1274
DrugBank ID
DB00665
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Activity = 37 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000521 LAPC-4
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM
2 IC50 = 5000 nM
Clinical Information about the Compound
Drug 1 ( Nilutamide )
Drug Name Nilutamide
Company Aventis Pharmaceuticals Inc.
Indication
Prostate cancer
Approved
Target(s)
Androgen receptor (AR)
 Target Info 
Antagonist