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Analogs

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Popular Name: N4-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3,4-diamine N4-[(4R)-4,5,6,7-tetrahydrobenzo…

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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) 2.13 4.61 -31.23 4 3 1 52 246.359 2 ↓

Analogs

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Popular Name: N4-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridine-3,4-diamine N4-[(4S)-4,5,6,7-tetrahydrobenzo…

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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) 2.13 4.48 -30.62 4 3 1 52 246.359 2 ↓

Analogs

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Popular Name: N-methyl-4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide N-methyl-4-[[(4R)-4,5,6,7-tetrah…

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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) 2.15 4.83 -38.65 3 4 1 55 288.396 3 ↓
Hi High (pH 8-9.5) 2.15 4.35 -9.2 2 4 0 54 287.388 3 ↓

Analogs

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Popular Name: N-methyl-4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide N-methyl-4-[[(4S)-4,5,6,7-tetrah…

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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) 2.15 4.7 -37.56 3 4 1 55 288.396 3 ↓
Hi High (pH 8-9.5) 2.15 4.22 -8.66 2 4 0 54 287.388 3 ↓

Analogs

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Popular Name: N-ethyl-4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide N-ethyl-4-[[(4R)-4,5,6,7-tetrahy…

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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) 2.52 5.67 -37.93 3 4 1 55 302.423 4 ↓
Hi High (pH 8-9.5) 2.52 5.2 -8.88 2 4 0 54 301.415 4 ↓

Analogs

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Popular Name: N-ethyl-4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide N-ethyl-4-[[(4S)-4,5,6,7-tetrahy…

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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) 2.52 5.54 -36.79 3 4 1 55 302.423 4 ↓
Hi High (pH 8-9.5) 2.52 5.07 -8.27 2 4 0 54 301.415 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide N,N-dimethyl-4-[[(4R)-4,5,6,7-te…

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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) 2.39 6.9 -9.66 1 4 0 45 301.415 3 ↓
Mid Mid (pH 6-8) 2.39 6.97 -17.2 2 4 0 46 302.423 3 ↓

Analogs

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Popular Name: N,N-dimethyl-4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide N,N-dimethyl-4-[[(4S)-4,5,6,7-te…

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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) 2.39 6.76 -8.99 1 4 0 45 301.415 3 ↓
Mid Mid (pH 6-8) 2.39 6.84 -36.83 2 4 1 46 302.423 3 ↓

Analogs

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Popular Name: 4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide 4-[[(4R)-4,5,6,7-tetrahydrobenzo…

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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) 1.77 2.87 -8.9 3 4 0 68 273.361 3 ↓
Mid Mid (pH 6-8) 1.77 3.35 -39.17 4 4 1 69 274.369 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]pyridine-2-carboxamide 4-[[(4S)-4,5,6,7-tetrahydrobenzo…

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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) 1.77 2.73 -8.38 3 4 0 68 273.361 3 ↓
Mid Mid (pH 6-8) 1.77 3.21 -38.05 4 4 1 69 274.369 3 ↓

Analogs

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Popular Name: 3-nitro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridin-4-amine 3-nitro-N-[(4R)-4,5,6,7-tetrahyd…

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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) 2.60 6.98 -7.82 1 5 0 71 275.333 3 ↓

Analogs

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Popular Name: 3-nitro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridin-4-amine 3-nitro-N-[(4S)-4,5,6,7-tetrahyd…

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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) 2.60 6.85 -7.19 1 5 0 71 275.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridin-4-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 2.50 6.49 -32.22 2 2 1 26 231.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridin-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 2.50 6.36 -31.77 2 2 1 26 231.344 2 ↓

Parameters Provided:

ring.id = 211799
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 = 211799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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