Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T78198

Target Info

Target Name

Purine nucleoside phosphorylase (PNP)

Synonyms

PNP; Inosine phosphorylase

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Target Type

Clinical trial Target

Gene Name

PNP

Biochemical Class

Pentosyltransferase

UniProt ID

P00491

Poor Binders of This Target (in total, 15 binders)

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Compound Name

Aciclovir

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Approved

Compound Info

Synonyms

acyclovir; Acycloguanosine; 59277-89-3; Zovirax; Vipral; Virorax; Wellcome-248U; 9-[(2-Hydroxyethoxy)methyl]guanine; Aciclovirum; Zovir; Aciclovirum [Latin]; Sitavig; Aciclovier; Zyclir; 9-HYROXYETHOXYMETHYLGUANINE; Aciclovirum [INN-Latin]; 2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one; W-248-U; 9-(2-Hydroxyethoxy)methylguanine; Acyclovir-side chain-2-3H; ACYCLOVIR SODIUM; 9-((2-Hydroxyethoxy)methyl)guanine; Acicloftal; Cargosil; BW-248U; UNII-X4HES1O11F; DRG-0008; NSC 645011; CHEBI:2453; CCRIS 1953; Iontophoretic acyclovir

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Activity

Ki = 180000 nM

[1]

Compound Name

8-Amino-3-benzyl-2-methylthio-9H-purin-6(3H)-one

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Investigative

Compound Info

Synonyms

CHEMBL32893; BDBM50005805; 8-Amino-3-benzyl-2-methylsulfanyl-1,9-dihydro-purin-6-one

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Activity

IC50 ~ 75000 nM

[2]

Compound Name

Dezaguanine

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Investigative

Compound Info

Synonyms

3-Deazaguanine; ICN 4221; UNII-9DRB973HUI; 6-Amino-1,5-dihydro-4H-imidazo(4,5-c)pyridin-4-one; 4H-Imidazo(4,5-c)pyridin-4-one, 6-amino-1,5-dihydro-; CI-908; NSC261726; NSC-261726; 6-amino-1,5-dihydroimidazo[4,5-c]pyridin-4-one; 9DRB973HUI; CHEMBL31882; 6-Amino-1,5-dihydro-imidazo[4,5-c]pyridin-4-one; Dezaguaninum [Latin]; Dezaguanina [Spanish]; Dezaguanina; Dezaguaninum; 41729-52-6(Dezaguanine); 87434-82-0 (Dezaguanine mesylate); Dezaguanine [USAN:INN]; CI 908; NSC 261726; BRN 0608942; 6-Aminoimidazo(4,5-c)pyridin-4(5H)-one; Dezaguanine (USAN/INN); NCIMech_000664; SCHEMBL4184; DTXSID10194525; BDBM50022256; CCG-35869; CI-809; ZINC17061339; AKOS006274250; NCI60_002090; D03754; 33802-EP2275420A1; 33802-EP2295055A2; 33802-EP2295416A2; 33802-EP2298748A2; 33802-EP2298764A1; 33802-EP2298765A1; 33802-EP2305642A2; 33802-EP2311453A1; 33802-EP2311808A1; 33802-EP2311829A1; 6-Amino-1H-imidazo[4,5-c]pyridin-4(5H)-one; 6-amino-1H,4H,5H-imidazo[4,5-c]pyridin-4-one; 6-Amino-3,5-dihydro-imidazo[4,5-c]pyridin-4-one; Q27272408; 4h-imidazo[4,5-c]pyridin-4-one,6-amino-3,5-dihydro-

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Activity

IC50 = 77000 nM

[3]

Compound Name

beta-(3-Chlorophenyl)-2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-propanoic acid methyl ester

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Investigative

Compound Info

Synonyms

CHEMBL124882; BDBM50042809

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Activity

IC50 = 80000 nM

[4]

Compound Name

5-Amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazole-3-carboximidamide

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Investigative

Compound Info

Synonyms

CHEMBL611275; BDBM50367674

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Activity

Ki = 80000 nM

[5]

Compound Name

[(2R,3S,4R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate

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Investigative

Compound Info

Synonyms

CHEMBL606330; BDBM50368827

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Activity

Ki = 93000 nM

[1]

Compound Name

3-Benzyl-7H-purin-3-ium-6-amine;chloride

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Investigative

Compound Info

Synonyms

CHEMBL285767

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Activity

IC50 = 95000 nM

[2]

Compound Name

1-[(2-Methylthiazol-4-yl)methyl]-1H-benzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL177325; BDBM50112053; 1-[(2-methylthiazol-4-yl)methyl]benzimidazole-4,7-dione; 1-(2-Methyl-thiazol-4-ylmethyl)-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1-[(2-methyl-4-thiazolyl)methyl]-; 1-(2-Methyl-4-thiazolylmethyl)-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 100000 nM

[6]

Compound Name

3-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one

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Investigative

Compound Info

Synonyms

CHEMBL3144008; BDBM50225889

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Activity

Ki = 100000 nM

[1]

Compound Name

9-(3,3-Dimethyl-pentyl)-1,9-dihydro-purin-6-one

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Investigative

Compound Info

Synonyms

CHEMBL13159; 9-(3,3-dimethylpentyl)hypoxanthine; BDBM50041099

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Activity

Ki = 110000 nM

[7]

Compound Name

3-Benzylhypoxanthine

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Investigative

Compound Info

Synonyms

3-benzyl-7H-purin-6-one; CHEMBL415041; 3-Benzyl-3,7-dihydro-purin-6-one; 3-benzyl-3H-purin-6(7H)-one; NSC70426; SCHEMBL6675394; SCHEMBL6675396; CTK1C6718; DTXSID30290699; 3-Benzyl-9H-purin-6(3H)-one; Purine-6(3H)-one, 3-benzyl-; ZINC1696258; 3-Benzyl-1,9-dihydro-purin-6-one; BDBM50005794; NSC-70426; DB-081556; FT-0715900

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Activity

IC50 = 112000 nM

[2]

Compound Name

8-Amino-3-benzyl-1,9-dihydro-purine-6-thione

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Investigative

Compound Info

Synonyms

CHEMBL287608; BDBM50005791

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Activity

IC50 = 131000 nM

[2]

Compound Name

2,5-Diaminothiazolo(5,4-d)pyrimidin-7(6H)-one

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Investigative

Compound Info

Synonyms

CHEMBL50940; 2,5-diamino-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one; Thiazolo[5,4-d]pyrimidin-7(4H)-one,2,5-diamino-; Dat-5P; 2,5-diaminothiazolo[5,4-d]pyrimidin-7(6h)-one; Thiazolo[5,4-d]pyrimidin-7(4H)-one, 2,5-diamino-; ACMC-20m66l; SCHEMBL654655; CTK4A1996; DTXSID20145785; BDBM50022242; 2,5-Diamino-6H-thiazolo[5,4-d]pyrimidin-7-one

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Activity

IC50 = 142500 nM

[8]

Compound Name

2-Amino-3-benzyl-8-formylamino-9H-purin-6(3H)-one

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Investigative

Compound Info

Synonyms

CHEMBL35798; BDBM50005807; N-(2-Amino-3-benzyl-6-oxo-6,9-dihydro-1H-purin-8-yl)-formamide

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Activity

IC50 ~ 150000 nM

[2]

Compound Name

9-(5-Phosphonopentyl)Guanine

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Investigative

Compound Info

Synonyms

CHEMBL267803; Phosphonic acid, [5-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)pentyl]-; ACMC-20m79w; CTK0D8006; DTXSID70434292; BDBM50039559; 5-(2-amino-6-oxo-1H-purin-9-yl)pentylphosphonic acid; [5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-pentyl]-phosphonic acid

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Activity

Ki = 170000 nM

[1]

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Non Binders of This Target (in total, 21 non binders)

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Compound Name

Adenosine

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Approved

Compound Info

Synonyms

Adenosine, homopolymer; Adenine 9-beta-D-arabinofuranoside; Adenine-9-beta-D-ribofuranoside; Beta-D-Ribofuranoside, adenine-9; EA6C60C2-6AFB-4264-A2F0-541373DB950E; (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; 6-Amino-9beta-D-ribofuranosyl-9H-purine; 9-(beta-D-Arabinofuranosyl)adenine; 9-beta-D-Ribofuranosidoadenine; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; 9-beta-D-Ribofuranosyladenine; 9beta-D-Ribofuranosyladenine

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Activity

Ki = 2000000 nM

[9]

Compound Name

Guanosine-5'-Monophosphate

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Investigative

Compound Info

Synonyms

5'-Guanylic acid; guanylic acid; guanosine-5'-monophosphate; guanosine monophosphate; Guanosine 5'-monophosphate; 85-32-5; 5'-Gmp; Guanosine 5'-phosphate; Guanidine monophosphate; guanylate; CHEBI:17345; guanosine-phosphate; guanosine-monophosphate; Guanosine 5'-monophosphoric acid; AI3-28539; guanosine-5'-phosphate; UNII-16597955EP; EINECS 201-598-8; Guanosine 5'-phosphoric acid; CHEMBL283807; GMP; ((2R,3S,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate; E 626; 16597955EP

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Activity

Ki = 1500000 nM

[9]

Compound Name

{Hydroxy-[5-(2-hydroxy-6-oxo-1,6-dihydro-purin-9-yl)-pentyl]-phosphinoylmethyl}-phosphonic acid

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Investigative

Compound Info

Synonyms

CHEMBL7194; BDBM50033662; [[5-[(2-Hydroxy-6-oxo-1,6-dihydro-9H-purin)-9-yl]pentyl]phosphonyl]methylphosphonic acid

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Activity

Ki = 270000 nM

[10]

Compound Name

[[4-[[2-Amino-6-oxo-1H-purin-9(6H)-yl]methyl]phenoxy]methyl]phosphonic acid

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Investigative

Compound Info

Synonyms

CHEMBL327003; BDBM50042371; [4-(2-Amino-6-oxo-1,6-dihydro-purin-9-ylmethyl)-phenoxymethyl]-phosphonic acid

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Activity

Ki = 270000 nM

[11]

Compound Name

[(2R,3S,4R,5S)-3,4-Dihydroxy-5-(7-oxo-1,7a-dihydropyrazolo[4,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl 4-fluorosulfonylbenzoate

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Investigative

Compound Info

Synonyms

CHEMBL3144020

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Activity

Ki > 300000 nM

[1]

Compound Name

(2S,3S,4R,5S)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

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Investigative

Compound Info

Synonyms

CHEMBL599189; SCHEMBL20938187; ZINC1481944; BDBM50307455

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Activity

IC50 = 300000 nM

[12]

Compound Name

3-Deazaguanosine

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Investigative

Compound Info

Synonyms

7-Ribosyl-3-deazaguanine; CHEMBL3245950; 7-(beta-D-Ribofuranosyl-3-deazaguanine); 9-.beta.-D-rib-3-deaza G; CHEMBL605683; SCHEMBL1738369; DTXSID10971414; ICN 4793; ICN-4793; ZINC5117008; BDBM50367286; 9-.beta.-D-Ribofuranosyl-3-deazaguanine; 6-Amino-beta-D-ribofuranosylimidazo(4,5-c)pyridin-4(5H)-one; 6-Imino-1-pentofuranosyl-5,6-dihydro-1H-imidazo[4,5-c]pyridin-4-ol; 4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-1,5-dihydro-1-.beta.-D-ribofuranosyl-

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Activity

IC50 > 300000 nM

[3]

Compound Name

1-Benzyl-2-methyl-benzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL367677; BDBM50112060; 1-Benzyl-2-methyl-1H-benzoimidazole-4,7-dione; 1-Benzyl-2-methyl-4,7-dihydro-1H-benzimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 2-methyl-1-(phenylmethyl)-

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Activity

Ki = 300000 nM

[6]

Compound Name

3-((2R,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(4H)-one

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Investigative

Compound Info

Synonyms

CHEMBL602747; BDBM50307454

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Activity

IC50 = 300000 nM

[12]

Compound Name

2-Amino-7-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3H-pyrrolo[2,3-d]pyrimidine-4(7H)-thione

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Investigative

Compound Info

Synonyms

CHEMBL599190; BDBM50307456

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Activity

IC50 = 315000 nM

[12]

Compound Name

2,5-Diaminothiazolo[4,5-d]pyrimidin-7(6H)-one

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Investigative

Compound Info

Synonyms

CHEMBL53653; 2,5-Diamino-2,3-dihydrothiazolo[4,5-d]pyrimidine-7-(6H)-one; 2,5-Diaminothiazolo(4,5-d)pyrimidin-7-(6H)-one; 2,5-Diamino-6H-thiazolo[4,5-d]pyrimidin-7-one; Thiazolo[4,5-d]pyrimidin-7(4H)-one, 2,5-diamino-; Dat-4P; Thiazolo(4,5-d)pyrimidin-7(4H)-one, 2,5-diamino-; Thiazolo[4,5-d]pyrimidin-7(4H)-one, 2,5-diamino- (9CI); 2,5-diamino-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one; SCHEMBL1703410; SCHEMBL20521400; CTK4E9118; DTXSID40176834; ANW-67291; BDBM50022241; ZINC13471724; AKOS016006728; FT-0666361; 2,5-Diaminothiazolo[4,5-d]pyrimidine-7(6H)-one; J-014627; Thiazolo[4,5-d]pyriMidin-7(4H)-one,2,5-diaMino-; Thiazolo[4,5-d]pyrimidin-7(4H)-one,2,5-diamino- (9CI)

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Activity

IC50 ~ 330000 nM

[8]

Compound Name

1,2-Dibenzylbenzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL177947; BDBM50112063; 1,2-Dibenzyl-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1,2-bis(phenylmethyl)-; 1,2-Dibenzyl-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 350000 nM

[6]

Compound Name

1-[(3-Fluorophenyl)methyl]benzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL175196; BDBM50112058; 1-(3-Fluoro-benzyl)-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1-[(3-fluorophenyl)methyl]-; 1-(3-Fluorobenzyl)-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 520000 nM

[6]

Compound Name

4,7-Benzimidazoledione

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Investigative

Compound Info

Synonyms

1h-benzimidazole-4,7-dione; benzimidazole-4,7-quinone; 4,7-benzimidazolequinone; benzimidazole-4,7-dione; NSC90916; UNII-D6VU9BI62I; D6VU9BI62I; CHEMBL314906; 1H-Benzoimidazole-4,7-dione; NSC 90916; NCIOpen2_001488; SCHEMBL2775270; CTK2H9250; DTXSID30227905; BDBM50112056; NSC-90916; ZINC13284871; AKOS006370187; Q27122661

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Activity

Ki = 550000 nM

[6]

Compound Name

1-Butylbenzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL174383; BDBM50112062; 1-Butyl-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1-butyl-; 1-Butyl-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 560000 nM

[6]

Compound Name

1-Benzylbenzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL369279; BDBM50112055; 1-Benzyl-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1-(phenylmethyl)-; 1-Benzyl-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 580000 nM

[6]

Compound Name

1-[(4-Fluorophenyl)methyl]benzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL175203; BDBM50112059; 1-(4-Fluoro-benzyl)-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1-[(4-fluorophenyl)methyl]-; 1-(4-Fluorobenzyl)-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 780000 nM

[6]

Compound Name

1-[(2-Fluorophenyl)methyl]benzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL367662; BDBM50112054; 1-(2-Fluoro-benzyl)-1H-benzoimidazole-4,7-dione; 1H-Benzimidazole-4,7-dione, 1-[(2-fluorophenyl)methyl]-; 1-(2-Fluorobenzyl)-4,7-dihydro-1H-benzimidazole-4,7-dione

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Ki = 1480000 nM

[6]

Compound Name

2-Aminoformycin

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Investigative

Compound Info

Synonyms

CHEMBL3144000; CHEMBL604829; DTXSID90913655; BDBM50366803; 5,7-Diamino-3-(beta-ribofuranosyl)pyrazolo(4,3-d)pyrimidine; 1-(7-Amino-5-imino-4,5-dihydro-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydropentitol; D-Ribitol, 1,4-anhydro-1-C-(5,7-diamino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-, (S)-

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Ki = 1680000 nM

[6]

Compound Name

Allopurinol riboside

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Investigative

Compound Info

Synonyms

Allopurinol ribonucleoside; Allopurinol-1-ribonucleoside; UNII-WZS8452SEC; WZS8452SEC; 4-Hydroxy[3,4-d]pyrazolopyrimidine riboside; CHEMBL1688966; 4-Hydroxy(3,4-d)pyrazolopyrimidine riboside; NSC 138437; 4-Hydroxy-1beta-D-ribofuranosylpyrazolo(3,4-d)pyrimidine; 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-1-beta-D-ribofuranosyl-; 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-1-beta-D-ribofuranosyl-; CHEMBL603304; SCHEMBL6912039; 1,5-Dihydro-1-beta-D-ribofuranosyl-4H-pyrazolo(3,4-d)pyrimidin-4-one; SCHEMBL11672972; SCHEMBL11673117; BDBM50366805; MFCD00057096; ZINC100053662; ZINC100095425; CS-6408; HY-101397; 4-Hydroxy-1H-pyrazolo[3,4-D]pyrimidine riboside; Q27144387; 1-.beta.-D-ribofuranosylpyrazolo[3,4-d]pyrimidine-4-one; 1-beta-D-Ribofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-4-one; 1H-Pyrazolo[3,4-d]pyrimidin-4-ol, 1-.beta.-D-ribofuranosyl-; 1-(beta-D-ribofuranosyl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one; 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-1-.beta.-D-ribofuranosyl-; 1-(.beta.-D-Ribofuranosyl)-1,5-dihydro-4H- pyrazolo-[3,4-d]pyrimidin-4-one

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Activity

Ki = 1800000 nM

[6]

Compound Name

1-Methylbenzimidazole-4,7-dione

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Investigative

Compound Info

Synonyms

CHEMBL424054; SCHEMBL14902045; BDBM50112057; ZINC13440018; 1-Methyl-1H-benzoimidazole-4,7-dione; 1h-benzimidazole-4,7-dione,1-methyl-; 1H-Benzimidazole-4,7-dione, 1-methyl-; 1-Methyl-4,7-dihydro-1H-benzimidazole-4,7-dione

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Activity

Ki = 2210000 nM

[6]

Click to Show/Hide the Information of All Non Binders

References

Top

REF 1

Nucleosides. 5. Synthesis of guanine and formycin B derivatives as potential inhibitors of purine nucleoside phosphorylase. J Med Chem. 1993 Apr 16;36(8):1024-31.

REF 2

Inhibitors of human purine nucleoside phosphorylase. Synthesis and biological activities of 8-amino-3-benzylhypoxanthine and related analogues. J Med Chem. 1992 Apr 17;35(8):1451-7.

REF 3

Synthesis of 8-amino-3-deazaguanine via imidazole precursors. Antitumor activity and inhibition of purine nucleoside phosphorylase. J Med Chem. 1986 Oct;29(10):2034-7.

REF 4

Structure-based design of inhibitors of purine nucleoside phosphorylase. 3. 9-Arylmethyl derivatives of 9-deazaguanine substituted on the methylene group. J Med Chem. 1993 Nov 26;36(24):3771-83.

REF 5

Synthesis and evaluation of 5-amino-1-beta-D-ribofuranosyl-1,2,4-triazole-3-carboxamidine and certain related nucleosides as inhibitors of purine nucleoside phosphorylase. J Med Chem. 1988 Feb;31(2):330-5.

REF 6

Benzimidazole-4,7-diones as inhibitors of protozoal (Toxoplasma gondii) purine nucleoside phosphorylase. Bioorg Med Chem Lett. 2002 Mar 25;12(6):977-9.

REF 7

Structure-based design of inhibitors of purine nucleoside phosphorylase. 4. A study of phosphate mimics. J Med Chem. 1994 Apr 15;37(8):1109-14.

REF 8

Inhibitors of human purine nucleoside phosphorylase. Synthesis, purine nucleoside phosphorylase inhibition, and T-cell cytotoxicity of 2,5-diaminothiazolo[5,4-d]pyrimidin-7(6H)-one and 2,5-diaminothiazolo[4,5-d]pyrimidin-7(6H)-one. Two thio isosteres of 8-aminoguanine. J Med Chem. 1986 Sep;29(9):1804-6.

REF 9

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