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Popular Name: 5-(1,3-benzodioxol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide 5-(1,3-benzodioxol-5-yl)-N-[4-(4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALK-1-E ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.27 Binding ≤ 10μM
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.23 Binding ≤ 10μM
INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8800 0.22 Binding ≤ 10μM
ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 2), Eukaryotic Eukaryotes 3800 0.24 Functional ≤ 10μM
ALK-1-E ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6500 0.23 Functional ≤ 10μM
BCR-1-E Breakpoint Cluster Region Protein (cluster #1 Of 2), Eukaryotic Eukaryotes 3800 0.24 Functional ≤ 10μM
NPM-1-E Nucleophosmin (cluster #1 Of 1), Eukaryotic Eukaryotes 6500 0.23 Functional ≤ 10μM
Z80036-1-O BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other Other 6500 0.23 Functional ≤ 10μM
Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 3500 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALK_HUMAN Q9UM73 ALK Tyrosine Kinase Receptor, Human 600 0.27 Binding ≤ 1μM
ALK_HUMAN Q9UM73 ALK Tyrosine Kinase Receptor, Human 600 0.27 Binding ≤ 10μM
INSR_HUMAN P06213 Insulin Receptor, Human 4800 0.23 Binding ≤ 10μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 5000 0.23 Binding ≤ 10μM
ALK_HUMAN Q9UM73 ALK Tyrosine Kinase Receptor, Human 3600 0.24 Functional ≤ 10μM
Z80036 Z80036 BaF3 (IL-3-dependent Pro-B-cells) 6500 0.23 Functional ≤ 10μM
BCR_HUMAN P11274 Breakpoint Cluster Region Protein, Human 3800 0.24 Functional ≤ 10μM
Z81072 Z81072 Jurkat (Acute Leukemic T-cells) 3500 0.24 Functional ≤ 10μM
NPM_HUMAN P06748 Nucleophosmin, Human 3600 0.24 Functional ≤ 10μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 3800 0.24 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) 3.03 7.2 -49.79 3 8 1 88 433.488 4 ↓

Parameters Provided:

ring.id = 224790
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 = 224790 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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