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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: Nav1.7 blocker 52 Nav1.7 blocker 52

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.25 Binding ≤ 10μM
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.24 Binding ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.20 Binding ≤ 10μM
SCN9A-1-E Sodium Channel Protein Type IX Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.24 Binding ≤ 10μM
SCNAA-2-E Sodium Channel Protein Type X Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 2200 0.21 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) 4.35 15.81 -15.47 2 9 0 102 516.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-(4-Fluorophenoxy)benzylidene)hydrazinecarboxamide 2-(4-(4-Fluorophenoxy)benzyliden…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 180 0.47 Binding ≤ 10μM
SCN9A-1-E Sodium Channel Protein Type IX Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 360 0.45 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) 3.26 4.15 -10.19 3 5 0 77 273.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC004239 DNC004239

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.49 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) 3.91 7.42 -8.11 1 3 0 38 254.264 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-phenoxyphenyl)-1H-pyrazole 5-(4-phenoxyphenyl)-1H-pyrazole

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.51 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) 3.75 7.4 -6.81 1 3 0 38 236.274 3 ↓

Analogs

31898283
31898283
31898405
31898405
31898562
31898562
31898567
31898567

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-chloro-2,6-dimethyl-phenoxy)-1-phenyl-ethanamine (1S)-2-(4-chloro-2,6-dimethyl-ph…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN1B-1-E Sodium Channel Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 Functional ≤ 10μM
SCN2B-1-E Sodium Channel Beta-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 Functional ≤ 10μM
SCN3B-1-E Sodium Channel Beta-3 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 Functional ≤ 10μM
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 Functional ≤ 10μM
SCN4B-1-E Sodium Channel Beta-4 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 Functional ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 Functional ≤ 10μM
SCN7A-1-E Sodium Channel Protein Type VII Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.38 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) 2.54 8.08 -46.99 3 2 1 37 276.787 4 ↓

Analogs

21795705
21795705
21795709
21795709
21797000
21797000
21797004
21797004
21799822
21799822

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-methylphenoxy)-1-phenyl-ethanamine (1S)-2-(2-methylphenoxy)-1-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN1B-1-E Sodium Channel Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Functional ≤ 10μM
SCN2B-1-E Sodium Channel Beta-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Functional ≤ 10μM
SCN3B-1-E Sodium Channel Beta-3 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Functional ≤ 10μM
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Functional ≤ 10μM
SCN4B-1-E Sodium Channel Beta-4 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Functional ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Functional ≤ 10μM
SCN7A-1-E Sodium Channel Protein Type VII Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 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) 1.51 6.63 -43.53 3 2 1 37 228.315 4 ↓

Analogs

21790133
21790133
21790136
21790136
21792248
21792248
21792252
21792252
21792860
21792860

Draw Identity 99% 90% 80% 70%

Popular Name: (1-amino-2-phenoxyethyl)benzene hydrochloride (1-amino-2-phenoxyethyl)benzene …

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And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN1B-1-E Sodium Channel Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 Functional ≤ 10μM
SCN2B-1-E Sodium Channel Beta-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 Functional ≤ 10μM
SCN3B-1-E Sodium Channel Beta-3 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 Functional ≤ 10μM
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 Functional ≤ 10μM
SCN4B-1-E Sodium Channel Beta-4 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 Functional ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 Functional ≤ 10μM
SCN7A-1-E Sodium Channel Protein Type VII Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.45 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) 1.11 5.88 -42.98 3 2 1 37 214.288 4 ↓

Analogs

31898239
31898239
31898245
31898245
31898273
31898273
31898277
31898277
31898283
31898283

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(4-chlorophenoxy)-1-phenyl-ethanamine (1S)-2-(4-chlorophenoxy)-1-pheny…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN1B-1-E Sodium Channel Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 Functional ≤ 10μM
SCN2B-1-E Sodium Channel Beta-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 Functional ≤ 10μM
SCN3B-1-E Sodium Channel Beta-3 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 Functional ≤ 10μM
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 Functional ≤ 10μM
SCN4B-1-E Sodium Channel Beta-4 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 Functional ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 Functional ≤ 10μM
SCN7A-1-E Sodium Channel Protein Type VII Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.41 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) 1.79 6.4 -46.03 3 2 1 37 248.733 4 ↓

Analogs

21792860
21792860
21792863
21792863
21797000
21797000
21797004
21797004
21799822
21799822

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-amino-2-phenylethoxy)-1,3-dimethylbenzene 2-(2-amino-2-phenylethoxy)-1,3-d…

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And 5 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN1B-1-E Sodium Channel Beta-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 Functional ≤ 10μM
SCN2B-1-E Sodium Channel Beta-2 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 Functional ≤ 10μM
SCN3B-1-E Sodium Channel Beta-3 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 Functional ≤ 10μM
SCN4A-1-E Sodium Channel Protein Type IV Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 Functional ≤ 10μM
SCN4B-1-E Sodium Channel Beta-4 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 Functional ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 Functional ≤ 10μM
SCN7A-1-E Sodium Channel Protein Type VII Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.39 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) 1.91 7.42 -43.98 3 2 1 37 242.342 4 ↓

Parameters Provided:

annotation.name = SCN4A_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'SCN4A\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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