UCSF

ZINC40955762

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 29 Yes

Popular Name: 5-(benzenesulfonyl)-N-(4-piperidyl)-2-(trifluoromethyl)benzenesulfonamide 5-(benzenesulfonyl)-N-(4-piperid…

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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) 2.50 3.85 -57.89 3 6 1 97 449.496 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SFRP1-1-E Secreted Frizzled-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.30 Binding ≤ 10μM
WNT3-1-E Proto-oncogene Protein Wnt-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 650 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SFRP1_HUMAN Q8N474 Secreted Frizzled-related Protein 1, Human 500 0.30 Binding ≤ 1μM
SFRP1_HUMAN Q8N474 Secreted Frizzled-related Protein 1, Human 500 0.30 Binding ≤ 10μM
WNT3_HUMAN P56703 Proto-oncogene Protein Wnt-3, Human 650 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class B/2 (Secretin family receptors)
negative regulation of TCF-dependent signaling by WNT ligand antagonists
TCF dependent signaling in response to WNT
WNT ligand biogenesis and trafficking

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

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