UCSF

ZINC15894339

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 34 No

Popular Name: Fluticasone Propionate Fluticasone Propionate

Find On: PubMed — Wikipedia — Google

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

Download: MOL2 SDF SMILES Flexibase

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 11.05 -13.07 1 5 0 81 500.579 6 ↓

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
MP 275 TCI
Indications anti-inflammatory, antiasthma, hayfever KeyOrganics Bioactives
Therapy antiinflammatory SMDC Pharmakon
biological_use Antiinflammatory agent IBScreen Bioactives
biological_use Corticosteroid IBScreen Bioactives ZereneX Building Blocks
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
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
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

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression

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