UCSF

ZINC03920027

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 34 No

Popular Name: Fluticasone propionate Fluticasone propionate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1093258-28-6 , 80474-14-2 , 80474-14-2  , [80474-14-2]

Other Names:

(6?,11?,16?,17?)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)androsta-1,4-diene-17-carbothioic acid S-(fluoromethyl) es

6alpha,9-difluoro-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-11beta-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17alpha-yl propanoate

80474-14-2

80474-14-2; Cutivate (TN); D01708; Flonase (TN); Flovent (TN); Fluticasone propionate (JAN/USAN)

AB00513992

AC-457

AC1L9FLD

Advair Diskus

Advair Diskus 100/50

ADVAIR DISKUS 100/50; ADVAIR DISKUS 250/50; ADVAIR DISKUS 500/50; Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6alpha,11beta,16alpha,17alpha)-S-(fluoromethyl) ester; Androsta-1,4-diene-17-carbothioic

Advair Diskus 250/50

Advair Diskus 500/50

ADVAIR HFA; FLUTICASONE PROPIONATE; LS-187963; SALMETEROL XINAFOATE

Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, (6alpha,11beta,16alpha,17alpha)-S-(fluoromethyl) ester

Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6-alpha,11-beta,16-alpha,17-alpha)-

Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6¦Á,11¦Â,16¦Á,17¦Á)-

Asmatil

Asmatil;Axotide;Brethal;Cultivate;Cutivate;Flixonase;Flixonase Nasal Spray;Flixotide;Flixotide Disk;Flixotide Disks;Flixotide Inhaler;Flonase;Flovent;Flovent Diskus;Flovent Rotadisk;Fluinol;Flunase;Flusonal;Fluspiral;Fluticasonpropionat Allen;Flutide;Flut

atemur

Axotide

BPBio1_001203

BRD-K62310379-001-03-0

Brethal

BSPBio_001093

C25H31F3O5S

CCI 18781

CCI-18781

CHEBI:31441

CHEBI:63600

CHEMBL1473

CID444036

CPD000469159

CPD000469159; FLUTICASONE PROPIONATE

CPD000469159; FLUTICASONE PROPIONATE; SAM001246583

Cutivate

Cutivate (TN)

Cutivate (TN); Fluticasone propionate

D01708

DAP001039

DB00588

FDA); Fluticasone (BAN

Flixonase

Flixonase Nasal Spray

Flixotide

Flixotide Disk

Flixotide Disks

Flixotide Inhaler

Flonase

Flonase (TN)

Flonase Aq

Flovent

Flovent (TN)

Flovent Diskus

Flovent Diskus 100

Flovent Diskus 250

Flovent diskus 50

Flovent hfa

Fluinol

Flunase

Flusonal

Fluspiral

Fluticasone

Fluticasone (BAN

Fluticasone Propionate

Fluticasone Propionate (FDA

Fluticasone propionate (Flonase, Veramyst)

Fluticasone propionate (JAN/USAN)

Fluticasone Propionate (USP

Fluticasone propionate [USAN]

Fluticasone-d5 propionate

Fluticasonpropionat Allen

Flutide

Flutivate

Fluxonal

FN-25

FT-0082893

HMS1571G15

HMS2051N19

Inalacor

INN)

INN); Fluticasone Propionate (FDA

LS-19323

MFCD00866007

MFCD08064194

MLS001424085

MolPort-003-847-468

N/A

NCGC00179308-01

Prestwick0_000997

Prestwick1_000997

Prestwick2_000997

Prestwick3_000997

Propionic acid (6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-17-fluoromethylsulfanylcarbonyl-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17

Rinosone

S-(Fluoromethyl) 6alpha,9-difluoro-11beta,17-dihydroxy-16alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carbothioate, 17-propionate

SAM001246583

SBB071021

Skyron

SMR000469159

SPBio_002984

Trialona

Ubizol

USAN

USP)

USP); Fluticasone (BAN

ZINC03920027

Zoflut

[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

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) 4.61 11.01 -21.42 1 5 0 81 500.579 6 ↓

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
ALOGPS_SOLUBILITY 1.14e-02 g/l DrugBank-approved
MP 275 TCI
Purity 97.0% ~ 102.0% APIChem
Indications anti-inflammatory, antiasthma, hayfever KeyOrganics Bioactives
biological_use Antiinflammatory agent IBScreen Bioactives
Indications antiinflammatory, antiasthma, hayfever KeyOrganics Bioactives
biological_use Corticosteroid IBScreen Bioactives ZereneX Building Blocks
Patent Database Links EP1229034; EP1493439; EP1520590; EP1523975; EP1616569; EP1674079; EP1767223; EP1769819; EP1772142; EP1787639; EP1834643; EP1857101; EP1864668; EP1894568; EP1944018; EP1949891; US2003236298; US2004006102; US2004234556; US2004248985; US2004254182; US2004261 ChEBI
Target Glucocorticoid Receptor Selleck Chemicals
mechanism Inhibitor of multiple cell types (e.g., mast cells, eosinophils, basophils, lymphocytes, macrophages, and neutrophils) and IBScreen Bioactives
mechanism mediate production or secretion (e.g., histamine, eicosanoids, leukotrienes, and cytokines) IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01977f NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01977f NIH Clinical Collection via PubChem
biological_use Used for treatment of inflammatory bowel disease, asthma and allergic rhinitis IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.37 Functional ≤ 10μM
Z100081-2-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 0.5 0.38 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 0.5 0.38 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 1.09 0.37 Functional ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 0.1 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression

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