UCSF

ZINC26383316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 24 No

Popular Name: 2-[(6-ethyl-2,3-dihydroxy-7-nitro-quinoxalin-5-yl)methyl-methyl-amino]acetic 2-[(6-ethyl-2,3-dihydroxy-7-nitr…

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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) -1.42 4.19 -48.13 2 10 -1 155 335.296 6 ↓
Hi High (pH 8-9.5) -0.52 2.07 -91.17 1 10 -2 158 334.288 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLRA1-1-E Glycine Receptor Subunit Alpha-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 470 0.37 Binding ≤ 10μM
GLRA2-1-E Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 470 0.37 Binding ≤ 10μM
GLRA3-1-E Glycine Receptor Alpha-3 Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 470 0.37 Binding ≤ 10μM
GLRA4-1-E Glycine Receptor Alpha-4 Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 470 0.37 Binding ≤ 10μM
GLRB-1-E Glycine Receptor Beta Chain (cluster #1 Of 2), Eukaryotic Eukaryotes 470 0.37 Binding ≤ 10μM
GRIA1-2-E Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
GRIA2-1-E Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
GRIA3-1-E Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
GRIA4-1-E Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic Eukaryotes 140 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRIA1_MOUSE P23818 Glutamate Receptor Ionotropic, AMPA 1, Mouse 140 0.40 Binding ≤ 1μM
GRIA2_RAT P19491 Glutamate Receptor Ionotropic, AMPA 2, Rat 140 0.40 Binding ≤ 1μM
GRIA3_RAT P19492 Glutamate Receptor Ionotropic, AMPA 3, Rat 140 0.40 Binding ≤ 1μM
GRIA4_RAT P19493 Glutamate Receptor Ionotropic, AMPA 4, Rat 140 0.40 Binding ≤ 1μM
GLRA1_RAT P07727 Glycine Receptor Alpha-1 Chain, Rat 470 0.37 Binding ≤ 1μM
GLRA2_RAT P22771 Glycine Receptor Alpha-2 Chain, Rat 470 0.37 Binding ≤ 1μM
GLRA3_RAT P24524 Glycine Receptor Alpha-3 Chain, Rat 470 0.37 Binding ≤ 1μM
GLRA4_MOUSE Q61603 Glycine Receptor Alpha-4 Chain, Mouse 470 0.37 Binding ≤ 1μM
GLRB_RAT P20781 Glycine Receptor Beta Chain, Rat 470 0.37 Binding ≤ 1μM
GRIA1_MOUSE P23818 Glutamate Receptor Ionotropic, AMPA 1, Mouse 140 0.40 Binding ≤ 10μM
GRIA2_RAT P19491 Glutamate Receptor Ionotropic, AMPA 2, Rat 140 0.40 Binding ≤ 10μM
GRIA3_RAT P19492 Glutamate Receptor Ionotropic, AMPA 3, Rat 140 0.40 Binding ≤ 10μM
GRIA4_RAT P19493 Glutamate Receptor Ionotropic, AMPA 4, Rat 140 0.40 Binding ≤ 10μM
GLRA1_RAT P07727 Glycine Receptor Alpha-1 Chain, Rat 470 0.37 Binding ≤ 10μM
GLRA2_RAT P22771 Glycine Receptor Alpha-2 Chain, Rat 470 0.37 Binding ≤ 10μM
GLRA3_RAT P24524 Glycine Receptor Alpha-3 Chain, Rat 470 0.37 Binding ≤ 10μM
GLRA4_MOUSE Q61603 Glycine Receptor Alpha-4 Chain, Mouse 470 0.37 Binding ≤ 10μM
GLRB_RAT P20781 Glycine Receptor Beta Chain, Rat 470 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of AMPA receptors
Ligand-gated ion channel transport
Trafficking of GluR2-containing AMPA receptors
Unblocking of NMDA receptor, glutamate binding and activation

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