Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17852 | Target Info | |||
| Target Name | Phosphodiesterase 9 (PDE9) | ||||
| Synonyms |
High affinity cGMPspecific 3',5'cyclic phosphodiesterase 9A; High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
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| Target Type | Clinical trial Target | ||||
| Gene Name | PDE9A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 27 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
US9388139, 12
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Patented | Compound Info | ||
| Synonyms |
SCHEMBL12493454; CHEMBL3899621; BDBM236643; US9388139, 12
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
AC1MOZOL
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Patented | Compound Info | ||
| Synonyms |
686770-82-1; AC1MOZOL; CHEMBL3919432; SCHEMBL16200742; BDBM86644; AKOS024584761; MCULE-1812319467; BC11-38-2; EU-0022203; SR-01000120183; SR-01000120183-1; F0579-0063; 2-(sec-butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
BC11-28
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Patented | Compound Info | ||
| Synonyms |
BDBM86641; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; AC1MM8WN; Oprea1_524381; CHEMBL2132713; SCHEMBL14998917; BDBM60812; HMS1911I05; ZINC2713985; STK859438; AKOS002104616; MCULE-7713625102; BC11-28; NCGC00138975-01; ST50069829; EU-0095146; US9173884, BC11-28; SR-01000567887; SR-01000567887-1; K405-0344; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine; [7-(4-fluorophenyl)-5-phenylpyrrolo[3,2-e]pyrimidin-4-yl](2-methylphenyl)amine
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
AC1M1SP5
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Patented | Compound Info | ||
| Synonyms |
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 850915-31-0; AC1M1SP5; SCHEMBL16200721; CHEMBL3913943; BDBM86646; ZINC2719834; AKOS024584906; MCULE-4663000139; BC11-38-4; SR-01000120201; SR-01000120201-1; F0579-0260; 3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
1-[4-Methoxy-3-(tetrahydropyran-4-yloxy)phenyl]butan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL456368; BDBM50273333
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
1-[3-Methoxy-4-(pyridin-2-yloxy)phenyl]-1-quinolin-3-ylbutan-1-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL514277; BDBM50273983
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(S)-1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1094374; BAY73-6691; BDBM50312666
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| Activity |
IC50 = 50000 nM
|
[4] | |||
| Compound Name |
4-[3-Methoxy-4-(pyridin-2-yloxy)phenyl]-4-quinolin-3-ylbutan-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL457216; BDBM50273601
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(6Ar,9aS)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-(4-trifluoromethyl-benzyl)-cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3769461; SCHEMBL4919408; BDBM50150239
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| Activity |
Ki = 50000 nM
|
[5] | |||
| Compound Name |
1-[4-(Difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-3-methylbutan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL458298; 1-(4-(difluoromethoxy)-3-((tetrahydrofuran-3-yl)oxy)phenyl)-3-methylbutan-1-one; Roflupram; Zl-n-91; Roflupram, >=98% (HPLC); GTPL10691; BDBM50273512; 1-[4-Difluoromethoxy-3-(tetrahydrofuran-3-yloxy)phenyl]-3-methylbutan-1-one
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
4-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)-2-methylbutan-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1221434; BDBM50325786; NCGC00249759; NCGC00249759-01; NCGC00249759-02
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| Activity |
IC50 ~ 55000 nM
|
[6] | |||
| Compound Name |
N-(4-Methoxybenzyl)-3-(cyclopentyloxy)-4-(difluoromethoxy)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628685; BDBM50129817
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Moracin C
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Investigative | Compound Info | ||
| Synonyms |
MORACIN-C; CHEMBL2018876; 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol; 1,3-Benzenediol, 5-(6-hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-; CTK5C9095; DTXSID70219182; ZINC5158948; BDBM50381284; 5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol; AKOS032948816; W2020; 2-(3,5-Dihydroxy-4-prenylphenyl)-6-hydroxybenzofuran; 5-(6-Hydroxy-benzofuran-2-yl)-2-(3-methyl-but-2-enyl)-benzene-1,3-diol; 5-(6-Hydroxybenzofuran-2-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol; 5-(6-hydroxybenzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol; 5-(6-Hydroxy-2-benzofuranyl)-2-(3-methyl-2-butenyl)-1,3-benzenediol, 9CI
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(2-Chlorophenyl)-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3883753; BDBM50208310
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
Chembl4206423
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Investigative | Compound Info | ||
| Synonyms |
BDBM50455384
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
Chembl4215772
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Investigative | Compound Info | ||
| Synonyms |
BDBM50455383
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(11R,15S)-5-Anilino-8-methyl-4-[(4-phenylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3770470; SCHEMBL4920743; BDBM50150171
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)-N-pyridin-3-ylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884224; BDBM50208315
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|
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
N,N-Diethyl-3-methyl-1-(2-methylphenyl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3972355; SCHEMBL14999000; BDBM86639; HMS1786A16; ZINC3293408; AKOS034464439; BC11-15; MCULE-3880495348; Z56898051
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(11R,15S)-5-Anilino-8-methyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3770107; SCHEMBL8238925; BDBM50150238
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|
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
2-(Butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3955950; SCHEMBL16200699; BDBM86643; ZINC2719706; AKOS024584760; MCULE-1273250191; BC11-38-1; EU-0022193; SR-01000120181; SR-01000120181-1; F0579-0062
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-(Propylthio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3950652; SCHEMBL16200731; BDBM86645; ZINC2459466; AKOS024584842; MCULE-6274932978; BC11-38-3; EU-0088907; SR-01000120189; SR-01000120189-1; F0579-0160
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
BDBM86640; Maybridge4_000373; Oprea1_392751; CHEMBL3974407; SCHEMBL14998934; BDBM60808; HMS1522A21; ZINC134330; CCG-51916; BC11-19; MCULE-1137806289; IDI1_030955; NCGC00177650-01; US9173884, BC11-19; SR-01000641186-1; BRD-K04557143-001-01-6
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Moracin M
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|
Investigative | Compound Info | ||
| Synonyms |
Veraphenol; 5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol; 5-(6-Hydroxybenzofuran-2-yl)benzene-1,3-diol; UNII-L9FI83128D; 5-(6-Hydroxy-benzofuran-2-yl)-benzene-1,3-diol; 6,3',5'-Trihydroxy-2-phenylbenzofuran; CHEMBL512578; L9FI83128D; 1,3-benzenediol, 5-(6-hydroxy-2-benzofuranyl)-; MLS000697562; SCHEMBL1740981; CTK1H1147; DTXSID20204861; HMS2269O04; ZINC6092566; BDBM50250915; AKOS022661579; MCULE-9347056916; 3',5',6-trihydroxy-2-phenylbenzofuran; NCGC00247527-01; SMR000470919; HY-122942; CS-0090595; 5-(6-Hydroxy-2-benzofuranyl)-1,3-Benzenediol; 5-(6-hydroxy-1-benzofuran-2-yl)-1,3-benzenediol; 5-(6-Hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI; Q15634179
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
3-Cyclopentyloxy-4-(difluoromethoxy)-N-pyridin-3-ylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3885161; BDBM50208311
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
N-(2-Chlorophenyl)-3(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884788; BDBM50208314
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
Click to Show/Hide
|
Compound Info | |||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
isobutylmethylxanthine
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Investigative | Compound Info | ||
| Synonyms |
3-Isobutyl-1-methylxanthine; IBMX; 28822-58-4; 1-METHYL-3-ISOBUTYLXANTHINE; Methylisobutylxanthine; 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione; Xanthine, 3-isobutyl-1-methyl-; 3-Isobutyl-1-methyxanthine; 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-; Methyl-isobutylxanthine; 3-isobutyl-1-methylxanthine (ibmx); UNII-TBT296U68M; 3-Isobutyl 1-methylxanthine; NSC 165960; CCRIS 4290; CHEBI:34795; 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione; 3-isobutyl-1-methyl-7H-xanthine; methylisobutylxanthine; 3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione; 3-ISOBUTYL-1-METHYLXANTHINE
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| Activity |
IC50 > 200000 nM
|
[4] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | US patent application no. 9388139B2, Derivatives of celeboxib, use thereof and preparation thereof | ||||
| REF 2 | US patent application no. 9173884B2, Inhibitors of phosphodiesterase 11 (PDE11) | ||||
| REF 3 | Design, synthesis, and structure-activity relationship, molecular modeling, and NMR studies of a series of phenyl alkyl ketones as highly potent and selective phosphodiesterase-4 inhibitors. J Med Chem. 2008 Dec 25;51(24):7673-88. | ||||
| REF 4 | Insight into binding of phosphodiesterase-9A selective inhibitors by crystal structures and mutagenesis. J Med Chem. 2010 Feb 25;53(4):1726-31. | ||||
| REF 5 | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases. J Med Chem. 2016 Feb 11;59(3):1149-64. | ||||
| REF 6 | The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5502-5. | ||||
| REF 7 | Catecholic amides as potential selective phosphodiesterase 4D inhibitors: Design, synthesis, pharmacological evaluation and structure-activity relationships. Bioorg Med Chem. 2015 Nov 15;23(22):7332-9. | ||||
| REF 8 | Moracin M from Morus alba L. is a natural phosphodiesterase-4 inhibitor. Bioorg Med Chem Lett. 2012 May 1;22(9):3261-4. | ||||
| REF 9 | Development of highly potent phosphodiesterase 4 inhibitors with anti-neuroinflammation potential: Design, synthesis, and structure-activity relationship study of catecholamides bearing aromatic rings. Eur J Med Chem. 2016 Nov 29;124:372-379. | ||||
| REF 10 | Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors. Bioorg Med Chem Lett. 2018 Apr 15;28(7):1188-1193. | ||||
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