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Popular Name: 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexane-1-carboxamide 4-methoxy-N-(3-phenyl-1,2,4-thia…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-1-E Adenosine A1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 32 0.48 Binding ≤ 10μM
AA2AR-4-E Adenosine A2a Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 2000 0.36 Binding ≤ 10μM
AA3R-1-E Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic Eukaryotes 5300 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 110 0.44 Binding ≤ 1μM
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 110 0.44 Binding ≤ 10μM
AA2AR_RAT P30543 Adenosine A2a Receptor, Rat 1900 0.36 Binding ≤ 10μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 1700 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) 3.04 7.18 -12.55 1 5 0 64 317.414 4 ↓
Hi High (pH 8-9.5) 3.22 6.09 -40.05 0 5 -1 70 316.406 4 ↓

Parameters Provided:

ring.id = 150810
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 = 150810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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