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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: 1-(7-benzyloxy-6-hydroxy-4-methoxy-benzofuran-5-yl)ethanone 1-(7-benzyloxy-6-hydroxy-4-metho…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 1200 0.36 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) 3.41 7.53 -12.49 1 5 0 69 312.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(2-fluorophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(2-fluorophenyl)methoxy]-6…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 2500 0.33 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) 3.53 6.23 -12.46 1 5 0 69 330.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(2-chlorophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(2-chlorophenyl)methoxy]-6…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 700 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 700 0.36 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) 4.04 6.66 -12.09 1 5 0 69 346.766 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-4-methoxy-7-(o-tolylmethoxy)benzofuran-5-yl]ethanone 1-[6-hydroxy-4-methoxy-7-(o-toly…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 1900 0.33 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) 3.81 6.75 -13.11 1 5 0 69 326.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(3-fluorophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(3-fluorophenyl)methoxy]-6…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 750 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 750 0.36 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) 3.55 7.59 -12.91 1 5 0 69 330.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(3-chlorophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(3-chlorophenyl)methoxy]-6…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 600 0.36 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) 4.06 8.04 -12.32 1 5 0 69 346.766 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-4-methoxy-7-(m-tolylmethoxy)benzofuran-5-yl]ethanone 1-[6-hydroxy-4-methoxy-7-(m-toly…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 1200 0.35 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) 3.84 6.78 -13.17 1 5 0 69 326.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-acetyl-6-hydroxy-4-methoxy-benzofuran-7-yl)oxymethyl]benzoic 3-[(5-acetyl-6-hydroxy-4-methoxy…

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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) 3.30 7.14 -58.62 1 7 -1 109 355.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-4-methoxy-7-[(3-nitrophenyl)methoxy]benzofuran-5-yl]ethanone 1-[6-hydroxy-4-methoxy-7-[(3-nit…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 600 0.34 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 8.2 -16.55 1 8 0 115 357.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-4-methoxy-7-[[3-(trifluoromethoxy)phenyl]methoxy]benzofuran-5-yl]ethanone 1-[6-hydroxy-4-methoxy-7-[[3-(tr…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 450 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 450 0.32 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) 4.36 5.91 -13.38 1 6 0 78 396.317 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(4-fluorophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(4-fluorophenyl)methoxy]-6…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 700 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 700 0.36 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) 3.57 6.18 -13.46 1 5 0 69 330.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(4-chlorophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(4-chlorophenyl)methoxy]-6…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 420 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 420 0.37 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) 4.09 6.62 -12.92 1 5 0 69 346.766 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(4-bromophenyl)methoxy]-6-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA1-1-E Voltage-gated Potassium Channel Subunit Kv1.1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1200 0.35 Functional ≤ 10μM
KCNA2-1-E Voltage-gated Potassium Channel Subunit Kv1.2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.34 Functional ≤ 10μM
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.37 Functional ≤ 10μM
KCNA4-1-E Voltage-gated Potassium Channel Subunit Kv1.4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.31 Functional ≤ 10μM
KCNA5-1-E Voltage-gated Potassium Channel Subunit Kv1.5 (cluster #1 Of 1), Eukaryotic Eukaryotes 900 0.35 Functional ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 2), Eukaryotic Eukaryotes 9000 0.29 Functional ≤ 10μM
Z100759-1-O T-lymphocytes (cluster #1 Of 1), Other Other 2500 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 9000 0.29 Functional ≤ 10μM
Z100759 Z100759 T-lymphocytes 2500 0.33 Functional ≤ 10μM
KCNA1_HUMAN Q09470 Voltage-gated Potassium Channel Subunit Kv1.1, Human 1200 0.35 Functional ≤ 10μM
KCNA2_HUMAN P16389 Voltage-gated Potassium Channel Subunit Kv1.2, Human 1400 0.34 Functional ≤ 10μM
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 400 0.37 Functional ≤ 10μM
KCNA4_HUMAN P22459 Voltage-gated Potassium Channel Subunit Kv1.4, Human 4300 0.31 Functional ≤ 10μM
KCNA5_HUMAN P22460 Voltage-gated Potassium Channel Subunit Kv1.5, Human 900 0.35 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) 4.22 6.74 -12.86 1 5 0 69 391.217 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-4-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]benzofuran-5-yl]ethanone 1-[6-hydroxy-4-methoxy-7-[[4-(tr…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 420 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 420 0.33 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) 4.31 7.12 -13.68 1 5 0 69 380.318 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-7-[(4-isopropylphenyl)methoxy]-4-methoxy-benzofuran-5-yl]ethanone 1-[6-hydroxy-7-[(4-isopropylphen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 1000 0.32 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) 4.92 8.05 -12.87 1 5 0 69 354.402 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[7-[(4-tert-butylphenyl)methoxy]-6-hydroxy-4-methoxy-benzofuran-5-yl]ethanone 1-[7-[(4-tert-butylphenyl)methox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 5800 0.27 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) 5.12 8.43 -12.78 1 5 0 69 368.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-acetyl-6-hydroxy-4-methoxy-benzofuran-7-yl)oxymethyl]benzoic 4-[(5-acetyl-6-hydroxy-4-methoxy…

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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) 3.32 7.14 -59.18 1 7 -1 109 355.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-hydroxy-4-methoxy-7-[[4-(trifluoromethoxy)phenyl]methoxy]benzofuran-5-yl]ethanone 1-[6-hydroxy-4-methoxy-7-[[4-(tr…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_MOUSE P16390 Voltage-gated Potassium Channel Subunit Kv1.3, Mouse 600 0.31 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) 4.38 5.91 -13.32 1 6 0 78 396.317 7 ↓

Parameters Provided:

ring.id = 225487
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 = 225487 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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