UCSF

ZINC49112990

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 21 Yes

Popular Name: 6-bromo-N-(2-chlorophenyl)-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide 6-bromo-N-(2-chlorophenyl)-2-met…

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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) 4.04 8.58 -8.09 1 4 0 46 364.63 2 ↓
Lo Low (pH 4.5-6) 4.04 9.01 -31.58 2 4 1 48 365.638 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EPHB3-1-E Ephrin Type-B Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 173 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EPHB3_HUMAN P54753 Ephrin Type-B Receptor 3, Human 173 0.45 Binding ≤ 1μM
EPHB3_HUMAN P54753 Ephrin Type-B Receptor 3, Human 173 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHB-mediated forward signaling
Ephrin signaling

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

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