UCSF

ZINC00365215

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine 2-(4-Bromophenyl)-6-methylimidaz…

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CAS Numbers: 1023-01-4 , [1023-01-4]

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) 4.18 9.93 -9.15 0 2 0 17 287.16 1 ↓
Mid Mid (pH 6-8) 4.18 10.36 -28.82 1 2 1 19 288.168 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 214-218? Alfa-Aesar
Melting_Point 214-218° Alfa-Aesar
mp 65 - 69 MolMall (formerly Molecular Diversity Preservation International)
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-2-E Beta Amyloid A4 Protein (cluster #2 Of 5), Eukaryotic Eukaryotes 638 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 638 0.51 Binding ≤ 1μM
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 638 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Advanced glycosylation endproduct receptor signaling
Amyloids
DEx/H-box helicases activate type I IFN and inflammatory cytokines production
ECM proteoglycans
Formyl peptide receptors bind formyl peptides and many other ligands
G alpha (i) signalling events
G alpha (q) signalling events
Platelet degranulation
RIP-mediated NFkB activation via ZBP1
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
The NLRP3 inflammasome
TRAF6 mediated NF-kB activation

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