UCSF

ZINC28459574

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 19 Yes

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

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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) 1.96 4.92 -8.65 2 7 0 92 259.269 3 ↓
Mid Mid (pH 6-8) 1.96 5.43 -30.12 3 7 1 93 260.277 3 ↓

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 1200 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 1200 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.