UCSF

ZINC09341556

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 21 No

Popular Name: 5-[(5-hydroxy-1H-indol-3-yl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione 5-[(5-hydroxy-1H-indol-3-yl)meth…

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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) 0.46 -1.67 -44.26 2 7 -1 111 284.251 1 ↓
Mid Mid (pH 6-8) 0.01 0.78 -11.04 3 7 0 108 285.259 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 3000 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inhibition of PKR
ISG15 antiviral mechanism

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

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