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Analogs

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Popular Name: 4-fluoro-2-[(3R)-4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-[(1-naphthylamino)methyl]butyl]phenol 4-fluoro-2-[(3R)-4,4,4-trifluoro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 16 0.36 Binding ≤ 10μM
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 1000 0.28 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 1000 0.28 Binding ≤ 1μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 1000 0.28 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1000 0.28 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1000 0.28 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 1000 0.28 Binding ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 1000 0.28 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1000 0.28 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) 6.43 8.01 -10.56 3 3 0 52 421.434 7 ↓

Analogs

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Popular Name: 4-fluoro-2-[(3S)-4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-[(1-naphthylamino)methyl]butyl]phenol 4-fluoro-2-[(3S)-4,4,4-trifluoro…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANDR-1-E Androgen Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 16 0.36 Binding ≤ 10μM
MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1000 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 1000 0.28 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 1000 0.28 Binding ≤ 1μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 1000 0.28 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1000 0.28 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1000 0.28 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 1000 0.28 Binding ≤ 10μM
MCR_HUMAN P08235 Mineralocorticoid Receptor, Human 1000 0.28 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1000 0.28 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) 6.43 8.09 -11.33 3 3 0 52 421.434 7 ↓

Parameters Provided:

ring.id = 367080
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 = 367080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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