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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[2-(2-pyridyl)-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]pyridine-3-carbonitrile 2-[2-(2-pyridyl)-6,7-dihydro-4H-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 640 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 640 0.38 Binding ≤ 1μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 640 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) 1.83 5.64 -16.09 0 6 0 79 303.325 2 ↓
Lo Low (pH 4.5-6) 1.83 6.18 -36.98 1 6 1 80 304.333 2 ↓

Analogs

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Popular Name: 3-[[2-(2-pyridyl)-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]sulfonyl]benzonitrile 3-[[2-(2-pyridyl)-6,7-dihydro-4H…

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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) 1.96 3.83 -16.78 0 7 0 100 366.402 3 ↓
Lo Low (pH 4.5-6) 1.96 4.29 -42.75 1 7 1 101 367.41 3 ↓

Analogs

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Popular Name: 3-[[2-(2-pyridyl)-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]methyl]benzonitrile 3-[[2-(2-pyridyl)-6,7-dihydro-4H…

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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) 2.45 5.41 -15.03 0 5 0 66 316.364 3 ↓
Mid Mid (pH 6-8) 2.45 7.65 -58.75 1 5 1 67 317.372 3 ↓
Lo Low (pH 4.5-6) 2.45 8.12 -101.2 2 5 2 68 318.38 3 ↓

Analogs

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Popular Name: 3-[2-(2-pyridyl)-6,7-dihydro-4H-oxazolo[5,4-c]pyridine-5-carbonyl]benzonitrile 3-[2-(2-pyridyl)-6,7-dihydro-4H-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 2600 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 2600 0.31 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) 1.62 5.63 -17.14 0 6 0 83 330.347 2 ↓
Lo Low (pH 4.5-6) 1.62 6.17 -41.21 1 6 1 84 331.355 2 ↓

Analogs

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Popular Name: 3-(2-cyclohexyl-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl)benzonitrile 3-(2-cyclohexyl-6,7-dihydro-4H-o…

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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) 4.10 8.22 -9.08 0 4 0 53 307.397 2 ↓

Analogs

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Popular Name: 3-[2-[(2S)-2-piperidyl]-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]benzonitrile 3-[2-[(2S)-2-piperidyl]-6,7-dihy…

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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) 2.87 5.91 -44.03 2 5 1 70 309.393 2 ↓

Analogs

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Popular Name: 3-[2-[(2R)-2-piperidyl]-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]benzonitrile 3-[2-[(2R)-2-piperidyl]-6,7-dihy…

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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) 2.87 5.91 -44.43 2 5 1 70 309.393 2 ↓

Analogs

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Popular Name: 3-(2-isopropyl-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl)benzonitrile 3-(2-isopropyl-6,7-dihydro-4H-ox…

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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) 3.25 6.33 -9.69 0 4 0 53 267.332 2 ↓

Analogs

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Popular Name: 3-fluoro-5-[2-(2-pyridyl)-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]benzonitrile 3-fluoro-5-[2-(2-pyridyl)-6,7-di…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 54 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 54 0.42 Binding ≤ 1μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 54 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) 2.87 6.21 -14.5 0 5 0 66 320.327 2 ↓
Lo Low (pH 4.5-6) 2.87 6.76 -38.84 1 5 1 67 321.335 2 ↓

Parameters Provided:

ring.id = 366625
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 = 366625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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