UCSF

ZINC49777074

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 35 No

Popular Name: 2-[4-[(Z)-3-(4-bromophenyl)-5-[4-(trifluoromethyl)phenyl]pent-2-en-4-ynoxy]-2-methyl-phenoxy]acetic 2-[4-[(Z)-3-(4-bromophenyl)-5-[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) 7.06 17.4 -48.21 0 4 -1 59 544.343 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPARD-2-E Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic Eukaryotes 130 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPARD_HUMAN Q03181 Peroxisome Proliferator-activated Receptor Delta, Human 130 0.28 Binding ≤ 1μM
PPARD_HUMAN Q03181 Peroxisome Proliferator-activated Receptor Delta, Human 130 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Import of palmitoyl-CoA into the mitochondrial matrix
Nuclear Receptor transcription pathway
Regulation of pyruvate dehydrogenase (PDH) complex

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

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