UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-phenyl-6-(3-pyridyl)imidazo[1,2-a]pyrazin-8-amine N-phenyl-6-(3-pyridyl)imidazo[1,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AURKA-3-E Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic Eukaryotes 6700 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AURKA_HUMAN O14965 Serine/threonine-protein Kinase Aurora-A, Human 6700 0.33 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) 3.12 9.09 -9.93 1 5 0 55 287.326 3 ↓
Lo Low (pH 4.5-6) 3.12 9.56 -40.63 2 5 1 56 288.334 3 ↓

Analogs

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Popular Name: N-methyl-N-phenyl-6-(3-pyridyl)imidazo[1,2-a]pyrazin-8-amine N-methyl-N-phenyl-6-(3-pyridyl)i…

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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) 2.92 10.66 -10.08 0 5 0 46 301.353 3 ↓
Lo Low (pH 4.5-6) 2.92 11.13 -39.23 1 5 1 48 302.361 3 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-6-(3-pyridyl)imidazo[1,2-a]pyrazin-8-amine N-(4-chlorophenyl)-6-(3-pyridyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AURKA-3-E Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic Eukaryotes 5500 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AURKA_HUMAN O14965 Serine/threonine-protein Kinase Aurora-A, Human 5500 0.32 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) 3.80 9.55 -9.08 1 5 0 55 321.771 3 ↓
Lo Low (pH 4.5-6) 3.80 10 -43.71 2 5 1 56 322.779 3 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-6-(6-methoxy-3-pyridyl)imidazo[1,2-a]pyrazin-8-amine N-(4-methoxyphenyl)-6-(6-methoxy…

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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) 3.57 6.8 -10.88 1 7 0 74 347.378 5 ↓

Analogs

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Popular Name: 6-(6-chloro-3-pyridyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine 6-(6-chloro-3-pyridyl)-N-(4-meth…

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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) 4.19 8.8 -10.41 1 6 0 64 351.797 4 ↓

Analogs

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Popular Name: 6-(6-fluoro-3-pyridyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine 6-(6-fluoro-3-pyridyl)-N-(4-meth…

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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) 3.68 8.32 -10.94 1 6 0 64 335.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-6-(3-pyridyl)imidazo[1,2-a]pyrazin-8-amine N-(4-methoxyphenyl)-6-(3-pyridyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AURKA-3-E Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic Eukaryotes 2900 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AURKA_HUMAN O14965 Serine/threonine-protein Kinase Aurora-A, Human 2900 0.32 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) 3.17 8.38 -10.65 1 6 0 64 317.352 4 ↓
Lo Low (pH 4.5-6) 3.17 8.85 -42.41 2 6 1 66 318.36 4 ↓

Parameters Provided:

ring.id = 366383
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 = 366383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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