UCSF

ZINC00477397

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: DNC006726 DNC006726

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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) 2.76 -0.78 -7.48 1 3 0 41 252.726 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-1-E Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic Eukaryotes 5490 0.46 Binding ≤ 10μM
HXK4-1-E Hexokinase Type IV (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HXK4_HUMAN P35557 Hexokinase Type IV, Human 6300 0.46 Binding ≤ 10μM
GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 5490 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (q) signalling events
Glucose transport
Regulation of gene expression in beta cells
Regulation of Glucokinase by Glucokinase Regulatory Protein

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

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