UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-9-chloro-2,2,4,5-tetramethyl-1,5-dihydrochromeno[3,4-f]quinoline (5S)-9-chloro-2,2,4,5-tetramethy…

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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 621 0.38 Binding ≤ 10μM
GCR-1-E Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 367 0.39 Binding ≤ 10μM
PRGR-2-E Progesterone Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ANDR_HUMAN P10275 Androgen Receptor, Human 621 0.38 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 367 0.39 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.44 0.57 Binding ≤ 1μM
ANDR_HUMAN P10275 Androgen Receptor, Human 621 0.38 Binding ≤ 10μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 367 0.39 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.44 0.57 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 10 0.49 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) 5.58 9.54 -5.56 1 2 0 21 325.839 0 ↓

Analogs

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Popular Name: (5S)-5-(4-chlorophenyl)-2,2-dimethyl-1,5-dihydrochromeno[3,4-f]quinoline (5S)-5-(4-chlorophenyl)-2,2-dime…

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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 11 0.41 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.5 0.41 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.5 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1300 0.31 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) 6.76 11.89 -7.38 1 2 0 21 373.883 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(4-chlorophenyl)-2,2-dimethyl-1,5-dihydrochromeno[3,4-f]quinoline (5R)-5-(4-chlorophenyl)-2,2-dime…

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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 11 0.41 Binding ≤ 10μM
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 140 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.5 0.41 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.5 0.41 Binding ≤ 10μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 1300 0.31 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) 6.76 11.87 -6.39 1 2 0 21 373.883 1 ↓

Analogs

34010965
34010965

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Popular Name: (5S)-5-[(1S)-2,3-dimethylcyclohex-2-en-1-yl]-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f] (5S)-5-[(1S)-2,3-dimethylcyclohe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-1-E Progesterone Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 96 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 10.7 0.36 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) 7.67 12.36 -5.26 1 2 0 21 421.531 1 ↓

Parameters Provided:

ring.id = 228041
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 = 228041 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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