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

Analogs

591407
591407
591408
591408

Draw Identity 99% 90% 80% 70%

Popular Name: (3-bromo-4-fluoro-phenyl)BLAHone (3-bromo-4-fluoro-phenyl)BLAHone

Find On: PubMed — Wikipedia — Google

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABCC8-1-E Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
ABCC9-1-E Sulfonylurea Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
IRK11-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
IRK8-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IRK11_HUMAN Q14654 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human 30 0.48 Functional ≤ 10μM
IRK8_HUMAN Q15842 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Human 30 0.48 Functional ≤ 10μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 30 0.48 Functional ≤ 10μM
ABCC9_HUMAN O60706 Sulfonylurea Receptor 2, Human 30 0.48 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) 3.35 0.17 -13.89 1 4 0 46 362.202 1 ↓

Analogs

591408
591408

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-3-fluoro-phenyl)BLAHone (4-bromo-3-fluoro-phenyl)BLAHone

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABCC8-1-E Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
ABCC9-1-E Sulfonylurea Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
IRK11-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
IRK8-1-E Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IRK11_HUMAN Q14654 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human 30 0.48 Functional ≤ 10μM
IRK8_HUMAN Q15842 Potassium Channel, Inwardly Rectifying, Subfamily J, Member 8, Human 30 0.48 Functional ≤ 10μM
ABCC8_HUMAN Q09428 Sulfonylurea Receptor 1, Human 30 0.48 Functional ≤ 10μM
ABCC9_HUMAN O60706 Sulfonylurea Receptor 2, Human 30 0.48 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) 3.36 8.85 -13.8 1 4 0 47 362.202 1 ↓
Mid Mid (pH 6-8) 3.53 9.27 -39.79 2 4 1 52 363.21 1 ↓

Analogs

13121912
13121912
13121913
13121913

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-methyl-phenyl-BLAHone (4-ethylphenyl)-methyl-phenyl-BL…

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) 5.31 13.88 -15.2 1 4 0 47 383.495 3 ↓

Analogs

13121912
13121912
13121913
13121913

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-methyl-phenyl-BLAHone (4-ethylphenyl)-methyl-phenyl-BL…

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) 5.31 13.87 -15.18 1 4 0 47 383.495 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-9-(3-hydroxy-4-methoxy-phenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxa (9R)-9-(3-hydroxy-4-methoxy-phen…

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) 0.54 2.18 -18.85 4 8 0 119 354.366 3 ↓

Parameters Provided:

ring.id = 245893
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 = 245893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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