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Popular Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one 3-[2-[4-[(4-chlorophenyl)methyl]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 73 0.38 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 1694 0.31 Binding ≤ 10μM
DRD2-9-E Dopamine D2 Receptor (cluster #9 Of 24), Eukaryotic Eukaryotes 8053 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 73 0.38 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 1694 0.31 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 8053 0.27 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 73 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) 3.24 10.21 -47.98 1 5 1 43 372.876 5 ↓
Mid Mid (pH 6-8) 3.24 10.27 -51.61 1 5 1 43 372.876 5 ↓
Mid Mid (pH 6-8) 3.24 7.89 -10.38 0 5 0 42 371.868 5 ↓

Parameters Provided:

ring.id = 126823
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 = 126823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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