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Popular Name: 3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-phenylethyl]isoxazolo[5,4-c]pyridin-5-amine 3-(1,3-benzodioxol-5-yl)-N-[(1R)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLK1-1-E Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 214 0.35 Binding ≤ 10μM
PLK2-1-E Serine/threonine-protein Kinase PLK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.44 Binding ≤ 10μM
PLK3-1-E Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLK1_HUMAN P53350 Serine/threonine-protein Kinase PLK1, Human 214 0.35 Binding ≤ 1μM
PLK2_HUMAN Q9NYY3 Serine/threonine-protein Kinase PLK2, Human 4 0.44 Binding ≤ 1μM
PLK3_HUMAN Q9H4B4 Serine/threonine-protein Kinase PLK3, Human 24 0.40 Binding ≤ 1μM
PLK1_HUMAN P53350 Serine/threonine-protein Kinase PLK1, Human 214 0.35 Binding ≤ 10μM
PLK2_HUMAN Q9NYY3 Serine/threonine-protein Kinase PLK2, Human 4 0.44 Binding ≤ 10μM
PLK3_HUMAN Q9H4B4 Serine/threonine-protein Kinase PLK3, Human 24 0.40 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) 4.35 8.51 -10.48 1 6 0 69 359.385 4 ↓

Parameters Provided:

ring.id = 168131
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 = 168131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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