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Popular Name: N,6,6,9-tetramethyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-5H-pyrrolo[3,2-h]quinazoline-7-car N,6,6,9-tetramethyl-2-[4-[(4-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCNA1-1-E Cyclin A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 55 0.29 Binding ≤ 10μM
CCNA2-1-E Cyclin A2 (cluster #1 Of 3), Eukaryotic Eukaryotes 55 0.29 Binding ≤ 10μM
CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 55 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCNA1_HUMAN P78396 Cyclin A1, Human 54.9540874 0.29 Binding ≤ 1μM
CCNA2_HUMAN P20248 Cyclin A2, Human 54.9540874 0.29 Binding ≤ 1μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 54.9540874 0.29 Binding ≤ 1μM
CCNA1_HUMAN P78396 Cyclin A1, Human 54.9540874 0.29 Binding ≤ 10μM
CCNA2_HUMAN P20248 Cyclin A2, Human 54.9540874 0.29 Binding ≤ 10μM
CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 54.9540874 0.29 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) 2.77 11.76 -45.56 3 8 1 80 474.633 5 ↓
Hi High (pH 8-9.5) 2.77 9.39 -13.59 2 8 0 78 473.625 5 ↓

Parameters Provided:

ring.id = 365981
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 = 365981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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