UCSF

ZINC00394853

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

Popular Name: 5-methyl-3,6-diphenyl-isoxazolo[4,5-c]pyridin-4-one 5-methyl-3,6-diphenyl-isoxazolo[…

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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) 3.71 9.55 -11.09 0 4 0 48 302.333 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM7-1-E Metabotropic Glutamate Receptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM7_RAT P35400 Metabotropic Glutamate Receptor 7, Rat 20 0.47 Functional ≤ 10μM

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

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