UCSF
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Popular Name: N-cyclohexyl-4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2,6-naphthyridin-3-yl]pyridin-2-amine N-cyclohexyl-4-[1-[4-(cyclopropy…

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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 221 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 2 0.37 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 2 0.37 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) 4.65 13.9 -45.77 2 6 1 58 443.619 6 ↓
Hi High (pH 8-9.5) 4.65 11.68 -8.26 1 6 0 57 442.611 6 ↓
Mid Mid (pH 6-8) 4.65 14.38 -86.05 3 6 2 60 444.627 6 ↓

Parameters Provided:

ring.id = 189895
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 = 189895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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