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

Analogs

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Popular Name: (2S)-6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2S)-6-chloro-8-(4-methylsulfony…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 3870 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 3870 0.27 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 8.24 -49.59 0 5 -1 84 431.795 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2R)-6-chloro-8-(4-methylsulfony…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 3870 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 3870 0.27 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 8.08 -50.49 0 5 -1 84 431.795 4 ↓

Analogs

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Popular Name: (2S)-8-(4-aminophenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2S)-8-(4-aminophenyl)-6-chloro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 1390 0.33 Binding ≤ 10μM
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 1820 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 1390 0.33 Binding ≤ 10μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 1820 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) 3.90 8.57 -45.23 2 4 -1 75 368.718 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-8-(4-aminophenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2R)-8-(4-aminophenyl)-6-chloro-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 1390 0.33 Binding ≤ 10μM
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 1820 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 1390 0.33 Binding ≤ 10μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 1820 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) 3.90 8.42 -45.66 2 4 -1 75 368.718 3 ↓

Analogs

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Popular Name: (2S)-6-chloro-8-[4-(methanesulfonamido)phenyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2S)-6-chloro-8-[4-(methanesulfo…

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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) 4.06 7.48 -91.74 0 6 -2 98 445.802 5 ↓
Lo Low (pH 4.5-6) 4.06 7.31 -49.28 1 6 -1 96 446.81 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-8-[4-(methanesulfonamido)phenyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2R)-6-chloro-8-[4-(methanesulfo…

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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) 4.06 7.33 -91.25 0 6 -2 98 445.802 5 ↓
Lo Low (pH 4.5-6) 4.06 7.16 -49.01 1 6 -1 96 446.81 5 ↓

Analogs

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Popular Name: (2S)-6-chloro-8-[4-(hydroxymethyl)phenyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2S)-6-chloro-8-[4-(hydroxymethy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 2440 0.30 Binding ≤ 10μM
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 6380 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 2440 0.30 Binding ≤ 10μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 6380 0.28 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) 4.17 8.03 -45.74 1 4 -1 70 383.729 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-8-[4-(hydroxymethyl)phenyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2R)-6-chloro-8-[4-(hydroxymethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-1-E Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic Eukaryotes 2440 0.30 Binding ≤ 10μM
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 6380 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 2440 0.30 Binding ≤ 10μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 6380 0.28 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) 4.17 7.87 -46.38 1 4 -1 70 383.729 4 ↓

Analogs

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Popular Name: (2S)-8-(4-carboxyphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2S)-8-(4-carboxyphenyl)-6-chlor…

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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) 4.74 11.25 -96.82 0 5 -2 89 396.704 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-8-(4-carboxyphenyl)-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2R)-8-(4-carboxyphenyl)-6-chlor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.74 11.09 -97.16 0 5 -2 89 396.704 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-8-(4-methoxy-3-methyl-phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2S)-6-chloro-8-(4-methoxy-3-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 339 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 339 0.34 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 339 0.34 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) 5.26 10.75 -44.66 0 4 -1 59 397.756 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-8-(4-methoxy-3-methyl-phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic (2R)-6-chloro-8-(4-methoxy-3-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-1-E Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic Eukaryotes 339 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 339 0.34 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 339 0.34 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) 5.26 10.59 -44.93 0 4 -1 59 397.756 4 ↓

Parameters Provided:

ring.id = 466165
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 = 466165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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