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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: 3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)benzothiazole 3-ethyl-5-methoxy-2-(2-methylsul…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 3636 0.40 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) 1.03 2.65 -22.71 0 2 1 13 294.465 5 ↓

Analogs

5734084
5734084

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Popular Name: 4-[2-(3-ethylbenzothiazol-2-yl)vinyl]-N,N-dimethyl-aniline 4-[2-(3-ethylbenzothiazol-2-yl)v…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 4937 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) 1.80 12.02 -23.58 0 2 1 7 309.458 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3-ethyl-5-methyl-benzothiazol-2-yl)vinyl]-N,N-dimethyl-aniline 4-[2-(3-ethyl-5-methyl-benzothia…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 2331 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) 2.22 2.05 -23 0 2 1 7 323.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-methoxy-2-(2-methylsulfanylbut-1-enyl)benzothiazole 3-ethyl-5-methoxy-2-(2-methylsul…

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 3993 0.40 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) 1.03 1.43 -22.4 0 2 1 13 294.465 5 ↓

Analogs

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Popular Name: 2,4,6-trichlorophenyl 2-phenyl-1-ethylenesulfonate 2,4,6-trichlorophenyl 2-phenyl-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPARG-1-E Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 1439 0.39 Binding ≤ 10μM
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 1830 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) 5.27 -2.54 -8.35 0 3 0 43 363.649 4 ↓

Analogs

13983243
13983243

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Popular Name: AS-605240 AS-605240

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Vendors

And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CISD1-1-E CDGSH Iron-sulfur Domain-containing Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3260 0.43 Binding ≤ 10μM
Z80418-7-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #7 Of 9), Other Other 5310 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) 1.25 1.45 -10.51 1 5 0 76 257.274 1 ↓

Parameters Provided:

target.name = Z80418-7-O
target.type = F10
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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z80418-7-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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