UCSF
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Popular Name: 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile 2-[4-[3-(7,9-dioxo-8-azaspiro[4.…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-2-E Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 540 0.30 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 540 0.30 Binding ≤ 10μM
DRD4-4-E Dopamine D4 Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 540 0.30 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 540 0.30 Binding ≤ 10μM
DRD2-6-E Dopamine D2 Receptor (cluster #6 Of 24), Eukaryotic Eukaryotes 540 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 540 0.30 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 540 0.30 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 540 0.30 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 540 0.30 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 540 0.30 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 540 0.30 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 540 0.30 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 540 0.30 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 540 0.30 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 540 0.30 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) 1.57 10.16 -41.33 1 7 1 82 396.515 5 ↓
Mid Mid (pH 6-8) 1.57 7.79 -14.72 0 7 0 81 395.507 5 ↓

Parameters Provided:

ring.id = 149289
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 = 149289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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