UCSF

ZINC03875481

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 31 No

Popular Name: Triamcinolone acetonide Triamcinolone acetonide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67-78-7 , 67-78-7  , 76-25-5 , [67-78-7]

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) 2.56 5.61 -17.63 2 6 0 93 434.504 2 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Glucocorticoid ZereneX Building Blocks
Therapy antiinflammatory SMDC Pharmakon
biological_use Antiinflammatory agent IBScreen Bioactives
biological_use Antiproliferative IBScreen Bioactives IBScreen Bioactives
biological_use Antipruritic IBScreen Bioactives
Purity BP/CP APIChem
mechanism Enhances the effect of sympatholytics-beta on cyclic-AMP production IBScreen Bioactives
PUBCHEM_PATENT_ID EP0904266A1; WO1997034871A1 IBM Patent Data
mechanism Exact bronchodilator mechanism unknown IBScreen Bioactives
mechanism Glucocorticoid IBScreen Bioactives
Target Glucocorticoid Receptor Selleck Chemicals
mechanism Glucocorticoid IBScreen Bioactives
mechanism May inhibit bronchoconstrictor mechanisms IBScreen Bioactives
mechanism May produce direct smooth muscle relaxation IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-4389; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
mechanism Possible mechanisms: may decrease the number of inflammatory-cells IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-4389; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
mechanism Topical admin IBScreen Bioactives
mechanism Vasoconstrictor IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80951-4-O NIH3T3 (Fibroblasts) (cluster #4 Of 4), Other Other 2500 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80951 Z80951 NIH3T3 (Fibroblasts) 1600 0.26 Functional ≤ 10μM

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