UCSF

ZINC03812944

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 19 No

Popular Name: Flutamide Flutamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13311-84-7 , [13311-84-7]

Other Names:

lutamide

.alpha.,.alpha.,.alpha.-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide

13311-84-7

13311-84-7; C07653; Flutamide

13311-84-7; CPD000058187; FLUTAMIDE; SAM002264612

13311-84-7; D00586; Eulexin (TN); Flutamide (JP16/USP/INN)

13311-84-7; Flutamide; Prestwick_228

1A Brand of Flutamide

2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide

2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide

337962-98-8

37209-54-4

4'-Nitro-3'-(trifluoromethyl)isobutyranilide

4'-Nitro-3'-trifluoromethylisobutyramilide

4'-Nitro-3'-trifluoromethylisobutyranilide

4'-Nitro-3'-trifluoromethylisobutyranilide; BRN 2157663; C11H11F3N2O3; CCRIS 7246; Cebatrol, veterinary; EINECS 236-341-9; EULEXIN; FLUTAMIDE; Flutamida [INN-Spanish]; Flutamide [USAN:BAN:INN]; Flutamidum [INN-Latin]; Ham's F-12 medium; LS-2105; NFBA; NSC

4'-nitro-3'-trifluoromethylisobutyranilide; Eulexin; Flutamide; Niftolide; alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-propionotoluidide; niftolid

4-Nitro-3-(trifluoromethyl)isobutyranilide

AB00052188

AC-10517

AC1L1FUE

AKOS001025465

alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide

Alphapharm Brand of Flutamide

Apimid

Apo Flutamide

Apo-Flutamide

ApoFlutamide

Apogepha Brand of Flutamide

Apotex Brand of Flutamide

Azupharma Brand of Flutamide

BAN

BPBio1_000087

BRD-K28307902-001-05-0

BRN 2157663

BSPBio_000079

BSPBio_003122

C07653

C11H11F3N2O3

CAS-13311-84-7

CCRIS 7246

Cebatrol

Cebatrol, veterinary

cell pharm Brand of Flutamide

CHEBI:5132

CHEMBL806

Chephasaar Brand of Flutamide

Chimax

Chiron Brand of Flutamide

Ciclum Brand of Flutamide

CID3397

CPD000058187

CPD000058187; FLUTAMIDE; Pamelor; SAM002264612

Cytamid

D005485

D00586

DAP000301

DB00499

DivK1c_000459

Drogenil

EINECS 236-341-9

esparma Brand of Flutamide

Essex Brand of Flutamide

ETHINYL ESTRADIOL)

EU-0100557

Eulexin

Eulexin (TN)

Eulexin, Flutamin, Drogenil,Flutamide

Eulexine

F 9397

F0663

F9397_SIGMA

FDA

Fluken

Flulem

Flumid

Fluta 1A Pharma

Fluta cell

Fluta GRY

Fluta-cell

Fluta-GRY

Flutacell

FlutaGRY

Flutamida

Flutamida [INN-Spanish]

flutamida; flutamide; flutamidum

Flutamide (BAN

Flutamide (Eulexin)

Flutamide (FDA

Flutamide (JAN/USP/INN)

Flutamide (pubertal study)

Flutamide USP25

Flutamide [USAN:BAN:INN]

Flutamidum

Flutamidum [INN-Latin]

Flutamin

Flutamin, Drogenil

Flutandrona

Flutaplex

Flutexin

FTA

Fugerel

Gry Brand of Flutamide

Ham's F-12 medium

Hexal Brand of Flutamide

HMS1568D21

HMS1921O16

HMS2090I18

HMS2092O14

HMS501G21

I01-2470

IDI1_000459

Inibsa Brand of Flutamide

INN

Ipsen Brand of Flutamide

Juta Brand of Flutamide

KBio1_000459

KBio2_001690

KBio2_004258

KBio2_006826

KBio3_002342

KBioGR_001377

KBioSS_001690

Kendrick Brand of Flutamide

Lemery Brand of Flutamide

LS-2105

m-Propionotoluidide, .alpha.,.alpha.,.alpha.-trifluoro-2-methyl-4'-nitro-

m-Propionotoluidide, 2-methyl-4'-nitro-.alpha.,.alpha.,.alpha.-trifluoro-

m-Propionotoluidide, 2-methyl-4'-nitro-alpha,alpha,alpha-triflouro-

m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-

m-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro- (8CI)

m-propionotoluidide,alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro

METHOXYCHLOR

MFCD00072009

MLS000069634

MLS001065596

MolPort-001-771-894

N1-[4-nitro-3-(trifluoromethyl)phenyl]-2-methylpropanamide

NCGC00015452-01

NCGC00015452-02

NCGC00015452-04

NCGC00015452-12

NCGC00091460-01

NCGC00091460-02

NCGC00091460-03

NCGC00091460-04

NCGC00091460-05

NCGC00091460-06

NCGC00091460-07

NCGC00091460-08

NCGC00091460-09

NFBA

Niftholide

niftolid

Niftolide

NINDS_000459

NK-601

Novo Flutamide

Novo-Flutamide

NovoFlutamide

Novopharm Brand of Flutamide

NSC 215876

NSC147834

NSC215876

Odyne

Oncosal

OR-0973

Pharmascience Brand of Flutamide

PMS Flutamide

PMS-Flutamide

Prasfarma Brand of Flutamide

Prestwick0_000180

Prestwick1_000180

Prestwick2_000180

Prestwick3_000180

Prestwick_228

Propanamide, 2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-

Propanamide, 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-

Prostacur

Prostandril

Prostica

Prostogenat

PUBERTAL FLUTAMIDE STUDY (PUBERTAL STUDIES OF VINCLOZOLIN

Q Pharm Brand of Flutamide

Q-Pharm Brand of Flutamide

S1908_Selleck

SAM002264612

Sch 13521

SCH-13521

SCH13521

Schering Brand of Flutamide

Schering Plough Brand of Flutamide

Schering-Plough Brand of Flutamide

SMR000058187

SPBio_000982

SPBio_002000

SPECTRUM1500995

Spectrum2_001201

Spectrum3_001421

Spectrum4_000829

Spectrum5_001450

Spectrum_001210

ST058409

TAD Brand of Flutamide

Tedec Meiji Brand of Flutamide

Testotard

UNII-76W6J0943E

USAN

USP)

ZINC03812944

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 3.02 6.33 -10.97 1 5 0 75 276.214 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 112 TCI
ALOGPS_SOLUBILITY 5.66e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
UniProt Database Links AAAD_HUMAN ChEBI
Therapy antiandrogen SMDC Pharmakon
therap antiandrogen, antineoplastic, Nuclear Hormone receptor antagonist MicroSource Spectrum
Indications anticancer, prostate cancer KeyOrganics Bioactives
Patent Database Links EP1438962; EP1506775; EP1537858; EP1538164; EP1550720; EP1580188; EP1611879; EP1717247; EP1719527; EP1728863; EP1738752; EP1738759; EP1772452; EP1803454; EP1813609; EP1832576; EP1900742; EP1938798; EP1988098; EP1990342; US2001020038; US2001027211; US20021 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : F-262 NIH Clinical Collection via PubChem
Target P450 Selleck Chemicals
Indications prostate cancer KeyOrganics Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: F-262 NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-4-E Androgen Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 3700 0.40 Binding ≤ 10μM
ANDR-3-E Androgen Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 580 0.46 Functional ≤ 10μM
Z81170-1-O LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other Other 900 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 154 0.50 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1300 0.43 Binding ≤ 10μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1000 0.44 Functional ≤ 10μM
Z81170 Z81170 LNCaP (Prostate Carcinoma) 900 0.45 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

Analogs ( Draw Identity 99% 90% 80% 70% )