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

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-dimethylaminophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(4-dimethylaminophenyl)-4H-ind…

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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) 4.41 8.9 -10.49 2 3 0 42 307.422 2 ↓

Analogs

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Popular Name: 6-(2-nitrophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2-nitrophenyl)-4H-indeno[3,2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 8300 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) 4.22 9.36 -16.12 2 5 0 85 309.35 2 ↓
Lo Low (pH 4.5-6) 4.22 9.34 -35.45 3 5 1 86 310.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-nitrophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3-nitrophenyl)-4H-indeno[3,2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8300 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 8300 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) 4.24 9.22 -15.22 2 5 0 85 309.35 2 ↓
Lo Low (pH 4.5-6) 4.24 9.38 -37.94 3 5 1 86 310.358 2 ↓

Analogs

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Popular Name: 6-[2-(trifluoromethyl)phenyl]-4H-indeno[3,2-d]thiazol-2-amine 6-[2-(trifluoromethyl)phenyl]-4H…

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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) 5.16 9.4 -11.13 2 2 0 39 332.35 2 ↓
Lo Low (pH 4.5-6) 5.16 9.59 -31.06 3 2 1 40 333.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-(trifluoromethyl)phenyl]-4H-indeno[3,2-d]thiazol-2-amine 6-[3-(trifluoromethyl)phenyl]-4H…

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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) 5.18 9.53 -11.01 2 2 0 39 332.35 2 ↓
Lo Low (pH 4.5-6) 5.18 9.73 -32.72 3 2 1 40 333.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-(trifluoromethyl)phenyl]-4H-indeno[3,2-d]thiazol-2-amine 6-[4-(trifluoromethyl)phenyl]-4H…

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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) 5.20 9.52 -10.08 2 2 0 39 332.35 2 ↓
Lo Low (pH 4.5-6) 5.20 9.71 -33.07 3 2 1 40 333.358 2 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,5-dimethylphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2,5-dimethylphenyl)-4H-indeno…

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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) 5.13 9.86 -8.67 2 2 0 39 292.407 1 ↓
Lo Low (pH 4.5-6) 5.13 10.05 -30.38 3 2 1 40 293.415 1 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dimethylphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4-dimethylphenyl)-4H-indeno…

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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) 5.13 9.72 -9.65 2 2 0 39 292.407 1 ↓
Lo Low (pH 4.5-6) 5.13 9.91 -30.77 3 2 1 40 293.415 1 ↓

Analogs

26163
26163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,5-dimethylphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,5-dimethylphenyl)-4H-indeno…

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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) 5.13 9.84 -9.51 2 2 0 39 292.407 1 ↓
Lo Low (pH 4.5-6) 5.13 10.03 -30.85 3 2 1 40 293.415 1 ↓

Analogs

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Popular Name: 6-(3,4-dimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4-dimethoxyphenyl)-4H-inden…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 1600 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) 3.95 7.74 -13.31 2 4 0 57 324.405 3 ↓
Lo Low (pH 4.5-6) 3.95 7.93 -35.83 3 4 1 59 325.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2,4-dimethoxyphenyl)-4H-inden…

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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) 4.35 7.46 -11.75 2 4 0 57 324.405 3 ↓
Lo Low (pH 4.5-6) 4.35 7.65 -32.34 3 4 1 59 325.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4,5-trimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4,5-trimethoxyphenyl)-4H-in…

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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) 3.94 7.67 -14.23 2 5 0 67 354.431 4 ↓
Lo Low (pH 4.5-6) 3.94 7.87 -38.57 3 5 1 68 355.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,3,4-trimethoxyphenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(2,3,4-trimethoxyphenyl)-4H-in…

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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) 4.14 8.07 -13.24 2 5 0 67 354.431 4 ↓
Lo Low (pH 4.5-6) 4.14 8.27 -35.19 3 5 1 68 355.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3,4-dichlorophenyl)-4H-indeno[3,2-d]thiazol-2-amine 6-(3,4-dichlorophenyl)-4H-indeno…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_HUMAN P30542 Adenosine A1 Receptor, Human 8000 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) 5.59 9.49 -9.43 2 2 0 39 333.243 1 ↓
Lo Low (pH 4.5-6) 5.59 9.68 -32.83 3 2 1 40 334.251 1 ↓

Parameters Provided:

ring.id = 150335
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 = 150335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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