UCSF

ZINC01549397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 36 Yes

Popular Name: [2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-yloxy]acetic acid [2'-(5-ethyl-3,4-diphenyl-pyrazo…

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CAS Numbers: 300657-03-8 , [300657-03-8]

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) 7.09 3.42 -56.54 0 5 -1 67 473.552 8 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 7 0.32 Binding ≤ 10μM
FABP5-1-E Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic Eukaryotes 350 0.25 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 3470 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 15 0.30 Binding ≤ 1μM
FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 350 0.25 Binding ≤ 1μM
FABPH_HUMAN P05413 Fatty Acid Binding Protein Muscle, Human 250 0.26 Binding ≤ 1μM
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 15 0.30 Binding ≤ 10μM
FABP5_HUMAN Q01469 Fatty Acid Binding Protein Epidermal, Human 350 0.25 Binding ≤ 10μM
FABPH_HUMAN P05413 Fatty Acid Binding Protein Muscle, Human 250 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
Transcriptional regulation of white adipocyte differentiation

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

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