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Popular Name: N-cyclohexyl-4-(1-piperazin-1-yl-3-isoquinolyl)pyridin-2-amine N-cyclohexyl-4-(1-piperazin-1-yl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 356 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 12 0.38 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 12 0.38 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) 4.28 11.26 -48.4 3 5 1 58 388.539 4 ↓
Hi High (pH 8-9.5) 4.28 9.96 -8.45 2 5 0 53 387.531 4 ↓
Mid Mid (pH 6-8) 4.28 11.74 -84.54 4 5 2 59 389.547 4 ↓

Parameters Provided:

ring.id = 192401
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 = 192401 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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