UCSF

ZINC28462351

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 18 Yes

Popular Name: 4-(1-ethyl-6-fluoro-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine 4-(1-ethyl-6-fluoro-benzimidazol…

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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) 2.07 5.67 -6.47 2 6 0 83 247.233 2 ↓
Lo Low (pH 4.5-6) 2.07 6.18 -33.33 3 6 1 84 248.241 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KS6A5-1-E Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic Eukaryotes 2120 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KS6A5_HUMAN O75582 Ribosomal Protein S6 Kinase Alpha 5, Human 2120 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation
ERK/MAPK targets
NCAM signaling for neurite out-growth
Recycling pathway of L1

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

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