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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC012916 DNC012916

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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) 3.10 4.38 -48.33 1 3 -1 56 242.279 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hydroxy-2-methyl-5-phenyl-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-2-methyl-5-phenyl-7H-t…

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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 9500 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 9500 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) 3.32 5.21 -48.8 1 3 -1 56 256.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4-hydroxy-5-phenyl-7H-thieno[3,2-e]pyridin-6-one 2-ethyl-4-hydroxy-5-phenyl-7H-th…

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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 3100 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 3100 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) 3.90 5.98 -48.44 1 3 -1 56 270.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1270 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 1270 0.43 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) 3.70 4.95 -51.29 1 3 -1 56 270.333 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-hydroxy-3-methyl-5-phenyl-7H-thieno[3,2-e]pyridin-6-one 4-hydroxy-3-methyl-5-phenyl-7H-t…

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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 8300 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 8300 0.40 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) 3.48 5.22 -46.48 1 3 -1 56 256.306 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-4-hydroxy-5-phenyl-7H-thieno[3,2-e]pyridin-6-one 3-ethyl-4-hydroxy-5-phenyl-7H-th…

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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 530 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 530 0.46 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 530 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) 3.94 5.97 -46.36 1 3 -1 56 270.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 1530 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 1530 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) 4.07 6.54 -46.8 1 3 -1 56 284.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 940 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 940 0.40 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 940 0.40 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) 4.41 7.2 -47.01 1 3 -1 56 298.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 940 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 940 0.40 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 940 0.40 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) 4.41 7.2 -47.01 1 3 -1 56 298.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-hydroxy-5-phenyl-7H-thieno[3,2-e]pyridin-6-one 2-bromo-4-hydroxy-5-phenyl-7H-th…

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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 1770 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 1770 0.45 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) 4.04 4.09 -46.55 1 3 -1 56 321.175 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-hydroxy-3-methyl-5-phenyl-7H-thieno[4,5-e]pyridin-6-one 2-bromo-4-hydroxy-3-methyl-5-phe…

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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 390 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 390 0.47 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 390 0.47 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) 4.41 5.88 -41.46 1 3 -1 56 335.202 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-3-ethyl-4-hydroxy-5-phenyl-7H-thieno[4,5-e]pyridin-6-one 2-bromo-3-ethyl-4-hydroxy-5-phen…

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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 11 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 10.5 0.56 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 10.5 0.56 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) 4.88 6.62 -41.32 1 3 -1 56 349.229 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 9 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 8.9 0.56 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 8.9 0.56 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) 4.75 6.52 -41.38 1 3 -1 56 304.778 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-hydroxy-3-isopropyl-5-phenyl-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 7 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 6.6 0.55 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 6.6 0.55 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) 4.87 6.9 -42.02 1 3 -1 56 318.805 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-hydroxy-5-phenyl-3-sec-butyl-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-5-phenyl-3-se…

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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 6 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 5.8 0.52 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 5.8 0.52 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 7.53 -42.23 1 3 -1 56 332.832 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-hydroxy-5-phenyl-3-sec-butyl-7H-thieno[4,5-e]pyridin-6-one 2-chloro-4-hydroxy-5-phenyl-3-se…

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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 6 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 5.8 0.52 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 5.8 0.52 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 7.53 -42.28 1 3 -1 56 332.832 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 4550 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104302 Z104302 Glutamate NMDA Receptor 4550 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) 2.82 2.84 -54.56 4 4 0 84 320.801 3 ↓

Parameters Provided:

ring.id = 224554
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 = 224554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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