UCSF

ZINC66074470

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 No

Popular Name: (5Z)-5-[[3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylene]thiazolidine-2,4-dione (5Z)-5-[[3-methoxy-4-[2-nitro-4-…

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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) 3.81 8.05 -14.74 1 8 0 114 440.355 6 ↓

Activity (Go SEA)

ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERR1_HUMAN P11474 Estrogen-related Receptor Alpha, Human 270 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway
PPARA activates gene expression
Transcriptional activation of mitochondrial biogenesis

Rings

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

No pre-computed analogs available. Try a structural similarity search.