UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-5-(3-phenoxyphenyl)-7H…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-4-O Glutamate NMDA Receptor (cluster #4 Of 7), Other Other 368 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 368 0.38 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 368 0.38 Binding ≤ 10μM

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) 4.83 6.28 -55.58 1 4 -1 65 334.376 3 ↓

Analogs

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Popular Name: 4-hydroxy-3-methyl-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-3-methyl-5-(3-phenoxyp…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 330 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 330 0.36 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 330 0.36 Binding ≤ 10μM

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) 5.21 7.11 -54.54 1 4 -1 65 348.403 3 ↓

Analogs

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Popular Name: 3-ethyl-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 3-ethyl-4-hydroxy-5-(3-phenoxyph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 179 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 179 0.36 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 179 0.36 Binding ≤ 10μM

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) 5.68 7.88 -54.15 1 4 -1 65 362.43 4 ↓

Analogs

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Popular Name: 4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-3-(methoxymethyl)-5-(3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 36 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 36 0.39 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 36 0.39 Binding ≤ 10μM

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) 4.71 7.31 -47.33 1 5 -1 74 378.429 5 ↓

Analogs

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Popular Name: 4-hydroxy-5-(3-phenoxyphenyl)-3-sec-butyl-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-5-(3-phenoxyphenyl)-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 96 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 96 0.35 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 96 0.35 Binding ≤ 10μM

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) 6.14 10.11 -49.37 1 4 -1 65 390.484 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hydroxy-5-(3-phenoxyphenyl)-3-sec-butyl-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-5-(3-phenoxyphenyl)-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 96 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 96 0.35 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 96 0.35 Binding ≤ 10μM

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) 6.14 10.1 -49.42 1 4 -1 65 390.484 5 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 2-chloro-4-hydroxy-5-(3-phenoxyp…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 17 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 16.6 0.44 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 16.6 0.44 Binding ≤ 10μM

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) 5.63 6.89 -50.55 1 4 -1 65 368.821 3 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-3-methyl-5-(3-phenoxyphenyl)-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-3-methyl-5-(3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 23 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 23 0.41 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 23 0.41 Binding ≤ 10μM

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) 6.01 8.7 -43.93 1 4 -1 65 382.848 3 ↓

Analogs

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Popular Name: 2-chloro-3-ethyl-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[4,5-e]pyridin-6-one 2-chloro-3-ethyl-4-hydroxy-5-(3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 1 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 1.11 0.46 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 1.11 0.46 Binding ≤ 10μM

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) 6.48 9.44 -43.82 1 4 -1 65 396.875 4 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-3-isopropyl-5-(3-phenoxyphenyl)-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-3-isopropyl-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 1 0.45 Binding ≤ 10μM
Z81131-1-O L Cells (Fibroblasts) (cluster #1 Of 1), Other Other 5200 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 1.46 0.44 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 1.46 0.44 Binding ≤ 10μM
Z81131 Z81131 L Cells (Fibroblasts) 5200 0.26 Functional ≤ 10μM

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) 6.60 9.81 -44.37 1 4 -1 65 410.902 4 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-3-propyl-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-5-(3-phenoxyp…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 4 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 4.12 0.42 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 4.12 0.42 Binding ≤ 10μM

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) 6.87 10.21 -44.1 1 4 -1 65 410.902 5 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-3-(methoxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-3-(methoxymet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 2 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 1.6 0.44 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 1.6 0.44 Binding ≤ 10μM

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) 5.52 7.74 -46.47 1 5 -1 74 412.874 5 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-3-sec-butyl-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-5-(3-phenoxyp…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 2 0.42 Binding ≤ 10μM
Z81131-1-O L Cells (Fibroblasts) (cluster #1 Of 1), Other Other 7900 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 2 0.42 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 2 0.42 Binding ≤ 10μM
Z81131 Z81131 L Cells (Fibroblasts) 7900 0.25 Functional ≤ 10μM

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) 6.95 10.45 -44.66 1 4 -1 65 424.929 5 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-3-sec-butyl-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-5-(3-phenoxyp…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 2 0.42 Binding ≤ 10μM
Z81131-1-O L Cells (Fibroblasts) (cluster #1 Of 1), Other Other 7900 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 2 0.42 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 2 0.42 Binding ≤ 10μM
Z81131 Z81131 L Cells (Fibroblasts) 7900 0.25 Functional ≤ 10μM

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) 6.95 10.44 -44.7 1 4 -1 65 424.929 5 ↓

Analogs

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Popular Name: 3-tert-butyl-2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 3-tert-butyl-2-chloro-4-hydroxy-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 3 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 3.3 0.41 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 3.3 0.41 Binding ≤ 10μM

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) 7.27 10.36 -40.44 1 4 -1 65 424.929 4 ↓

Analogs

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Popular Name: 2-chloro-3-hexyl-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[4,5-e]pyridin-6-one 2-chloro-3-hexyl-4-hydroxy-5-(3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 80 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 80 0.32 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 80 0.32 Binding ≤ 10μM

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) 8.36 12.56 -44.42 1 4 -1 65 452.983 8 ↓

Analogs

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Popular Name: 2-chloro-4-hydroxy-3-(hydroxymethyl)-5-(3-phenoxyphenyl)-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-3-(hydroxymet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 69 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 69 0.37 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 69 0.37 Binding ≤ 10μM

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) 4.90 4.3 -52.89 2 5 -1 85 398.847 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-2-chloro-4-hydroxy-5-(3-phenoxyphenyl)-7H-thieno[3,2-e]pyridin-6-one 3-(2-aminoethyl)-2-chloro-4-hydr…

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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) 4.55 5.77 -59.26 4 5 0 93 412.898 5 ↓

Parameters Provided:

ring.id = 224591
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 224591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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