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

Analogs

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Popular Name: 4-[(4,5-diphenylthiazol-2-yl)amino]-4-oxo-butanoic 4-[(4,5-diphenylthiazol-2-yl)ami…

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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) 3.55 9.83 -56.09 1 5 -1 82 351.407 6 ↓
Lo Low (pH 4.5-6) 3.55 8.71 -18.15 2 5 0 79 352.415 6 ↓

Analogs

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Popular Name: 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)thiazole 5-(4-fluorophenyl)-4-(4-methylsu…

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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 1070 0.32 Binding ≤ 10μM
PGH2-4-E Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 6 0.44 Binding ≤ 1μM
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 1070 0.32 Binding ≤ 10μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 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) 4.12 7.5 -14.03 0 3 0 47 401.406 4 ↓

Analogs

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Popular Name: 4-(2-methyl-5-phenyl-thiazol-4-yl)benzenesulfonamide 4-(2-methyl-5-phenyl-thiazol-4-y…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-4-E Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic Eukaryotes 29 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 29 0.48 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 29 0.48 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 4.47 -12.4 2 4 0 73 330.434 3 ↓

Analogs

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Popular Name: 4-[5-(4-chlorophenyl)-2-methyl-thiazol-4-yl]benzenesulfonamide 4-[5-(4-chlorophenyl)-2-methyl-t…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-4-E Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic Eukaryotes 18 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 18 0.47 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 18 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) 3.55 4.99 -11.79 2 4 0 73 364.879 3 ↓

Analogs

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Popular Name: ethyl ethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-4-E Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic Eukaryotes 610 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 610 0.32 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 610 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) 3.43 8.11 -13.94 0 5 0 73 405.472 6 ↓

Analogs

32270973
32270973
33962449
33962449

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Popular Name: [5-(4-aminophenyl)-4-phenyl-thiazol-2-yl]amine [5-(4-aminophenyl)-4-phenyl-thia…

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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) 3.14 5.9 -8 4 3 0 65 267.357 2 ↓
Lo Low (pH 4.5-6) 3.14 6.33 -27.19 5 3 1 66 268.365 2 ↓

Analogs

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Popular Name: 2-(4,5-diphenylthiazol-2-yl)-N,N-dimethyl-acetamide 2-(4,5-diphenylthiazol-2-yl)-N,N…

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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) 3.28 9.72 -14.67 0 3 0 33 322.433 4 ↓

Analogs

4306846
4306846
143947
143947

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Popular Name: 5-(4-chlorophenyl)-4-phenyl-thiazol-2-amine 5-(4-chlorophenyl)-4-phenyl-thia…

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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) 4.75 8.55 -6.24 2 2 0 39 286.787 2 ↓
Mid Mid (pH 6-8) 4.75 8.6 -35.91 1 2 -1 36 285.779 2 ↓

Parameters Provided:

ring.id = 37430
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 = 37430 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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