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38579307
38579307

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Popular Name: (5S)-5-methyl-1-(4-quinolylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione (5S)-5-methyl-1-(4-quinolylmethy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IGF1R-1-E Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.27 Binding ≤ 10μM
INSR-1-E Insulin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.29 Binding ≤ 10μM
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic Eukaryotes 700 0.27 ADME/T ≤ 10μM
Z80253-1-O MEF (Embryonic Fibroblast Cells) (cluster #1 Of 1), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
INSR_HUMAN P06213 Insulin Receptor, Human 300 0.29 Binding ≤ 1μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 500 0.28 Binding ≤ 1μM
INSR_HUMAN P06213 Insulin Receptor, Human 300 0.29 Binding ≤ 10μM
IGF1R_HUMAN P08069 Insulin-like Growth Factor I Receptor, Human 500 0.28 Binding ≤ 10μM
Z80253 Z80253 MEF (Embryonic Fibroblast Cells) 0.3 0.42 Functional ≤ 10μM
CP2C9_HUMAN P11712 Cytochrome P450 2C9, Human 700 0.27 ADME/T ≤ 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) 5.50 7.66 -15.85 0 7 0 88 463.437 5 ↓
Lo Low (pH 4.5-6) 5.50 8.09 -42.2 1 7 1 89 464.445 5 ↓

Parameters Provided:

ring.id = 482282
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 = 482282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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