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Analogs

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Popular Name: 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(isobutylamino)purin-9-yl]acetic 2-[2-[(4-cyclohexylphenyl)methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
STAT3-1-E Signal Transducer And Activator Of Transcription 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 7900 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
STAT3_MOUSE P42227 Signal Transducer And Activator Of Transcription 3, Mouse 7900 0.22 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) 5.40 16.28 -50.7 2 8 -1 108 435.552 9 ↓
Lo Low (pH 4.5-6) 5.40 16.58 -46.45 3 8 0 109 436.56 9 ↓

Analogs

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Popular Name: 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(isopentylamino)purin-9-yl]acetic 2-[2-[(4-cyclohexylphenyl)methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
STAT3-1-E Signal Transducer And Activator Of Transcription 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
STAT3_MOUSE P42227 Signal Transducer And Activator Of Transcription 3, Mouse 1200 0.25 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) 5.93 16.84 -50.58 2 8 -1 108 449.579 10 ↓
Lo Low (pH 4.5-6) 5.93 17.14 -46.77 3 8 0 109 450.587 10 ↓

Analogs

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Popular Name: 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(hexylamino)purin-9-yl]acetic 2-[2-[(4-cyclohexylphenyl)methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.73 17.9 -50.55 2 8 -1 108 463.606 12 ↓
Lo Low (pH 4.5-6) 6.73 18.19 -47.11 3 8 0 109 464.614 12 ↓

Parameters Provided:

ring.id = 469385
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 = 469385 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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