UCSF
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Analogs

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Popular Name: (5S)-5-(4-chlorophenyl)-2,2,4,4-tetramethyl-1,5-dihydrochromeno[3,4-f]quinolin-3-one (5S)-5-(4-chlorophenyl)-2,2,4,4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.39 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 5.3 0.39 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 5.3 0.39 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 9.8 0.37 Functional ≤ 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) 6.54 11.55 -7.8 1 3 0 38 417.936 1 ↓

Analogs

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Popular Name: (5R)-5-(4-chlorophenyl)-2,2,4,4-tetramethyl-1,5-dihydrochromeno[3,4-f]quinolin-3-one (5R)-5-(4-chlorophenyl)-2,2,4,4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.39 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 5.3 0.39 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 5.3 0.39 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 9.8 0.37 Functional ≤ 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) 6.54 12.16 -7.91 1 3 0 38 417.936 1 ↓

Analogs

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Popular Name: (4R,5S)-2,2,4-trimethyl-5-phenyl-4,5-dihydro-1H-chromeno[3,4-f]quinolin-3-one (4R,5S)-2,2,4-trimethyl-5-phenyl…

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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 1075 0.30 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 909 0.30 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 29 0.38 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 9 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 909 0.30 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 28.6 0.38 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1075 0.30 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 909 0.30 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 28.6 0.38 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 35 0.37 Functional ≤ 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) 5.21 10.86 -8.07 1 3 0 38 369.464 1 ↓

Analogs

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Popular Name: (4S,5S)-2,2,4-trimethyl-5-phenyl-4,5-dihydro-1H-chromeno[3,4-f]quinolin-3-one (4S,5S)-2,2,4-trimethyl-5-phenyl…

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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 732 0.31 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 249 0.33 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 7 0.41 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 24 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 732 0.31 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 249 0.33 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 6.6 0.41 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 732 0.31 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 249 0.33 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 6.6 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 10 0.40 Functional ≤ 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) 5.21 10.81 -9.31 1 3 0 38 369.464 1 ↓

Analogs

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Popular Name: (4S,5S)-5-(3-fluorophenyl)-2,2,4-trimethyl-4,5-dihydro-1H-chromeno[3,4-f]quinolin-3-one (4S,5S)-5-(3-fluorophenyl)-2,2,4…

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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 620 0.30 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 193 0.32 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 3 0.41 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 620 0.30 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 193 0.32 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 2.6 0.41 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 620 0.30 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 193 0.32 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 2.6 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 14.8 0.38 Functional ≤ 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) 5.35 10.89 -9.85 1 3 0 38 387.454 1 ↓

Analogs

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Popular Name: (4R,5S)-2,2,4-trimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-chromeno[3,4-f]quinolin-3-one (4R,5S)-2,2,4-trimethyl-5-[3-(tr…

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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 807 0.27 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 250 0.29 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 123 0.30 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 63 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 807 0.27 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 250 0.29 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 123 0.30 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 807 0.27 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 250 0.29 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 123 0.30 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 16 0.34 Functional ≤ 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) 6.08 11.89 -8.06 1 3 0 38 437.461 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,5S)-2,2,4-trimethyl-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-chromeno[3,4-f]quinolin-3-one (4S,5S)-2,2,4-trimethyl-5-[3-(tr…

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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 1091 0.26 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 257 0.29 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 17 0.34 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 37 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 257 0.29 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 16.6 0.34 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1091 0.26 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 257 0.29 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 16.6 0.34 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 14 0.34 Functional ≤ 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) 6.08 11.82 -9.57 1 3 0 38 437.461 2 ↓

Analogs

36770738
36770738

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Popular Name: (4R,5Z)-5-benzylidene-2,2,4-trimethyl-1,4-dihydrochromeno[3,4-f]quinolin-3-one (4R,5Z)-5-benzylidene-2,2,4-trim…

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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 1196 0.29 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 680 0.30 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.40 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 18 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 680 0.30 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 4.9 0.40 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 1196 0.29 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 680 0.30 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 4.9 0.40 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 17 0.38 Functional ≤ 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) 5.53 12.25 -9.88 1 3 0 42 381.475 1 ↓

Analogs

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Popular Name: hydroxy(dimethyl)BLAHone hydroxy(dimethyl)BLAHone

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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) 2.67 7.35 -7.15 1 3 0 41 305.377 0 ↓

Analogs

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Popular Name: hydroxy(dimethyl)BLAHone hydroxy(dimethyl)BLAHone

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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) 2.67 7.01 -7.6 1 3 0 41 305.377 0 ↓

Parameters Provided:

ring.id = 228060
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 = 228060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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