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Analogs

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Popular Name: 4-chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[5,4-a]isoquinolin-3-yl)benzenesulfonamide 4-chloro-5-methyl-2-sulfanyl-N-(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGM-2-E Muscle Glycogen Phosphorylase (cluster #2 Of 4), Eukaryotic Eukaryotes 7500 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGM_RABIT P00489 Glycogen Phosphorylase, Muscle Form, Rabit 7500 0.28 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) 4.20 10.74 -55.27 0 6 -1 78 403.896 3 ↓

Analogs

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Popular Name: 4-fluoro-2-sulfanyl-N-([1,2,4]triazolo[5,4-a]isoquinolin-3-yl)benzenesulfonamide 4-fluoro-2-sulfanyl-N-([1,2,4]tr…

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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) 3.31 9.72 -54.39 0 6 -1 78 373.414 3 ↓

Analogs

39124935
39124935

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Popular Name: [1,2,4]triazolo[3,4-a]isoquinoline-3-thiol [1,2,4]triazolo[3,4-a]isoquinoli…

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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) 2.62 7.8 -50.78 0 3 -1 30 200.246 0 ↓
Mid Mid (pH 6-8) 1.89 7.69 -11.77 1 3 0 33 201.254 0 ↓

Analogs

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Popular Name: N-methyl-2-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanyl)acetamide N-methyl-2-([1,2,4]triazolo[3,4-…

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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) 1.93 6.72 -15.82 1 5 0 59 272.333 3 ↓

Analogs

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Popular Name: 3-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanylmethyl)isoxazole 3-([1,2,4]triazolo[3,4-a]isoquin…

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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) 3.14 9.1 -16.25 0 5 0 56 282.328 3 ↓

Parameters Provided:

ring.id = 11491
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 = 11491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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