Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T04741 | Target Info | |||
| Target Name | Phosphoribosylaminoimidazolecarboxamide formyltransferase (ATIC) | ||||
| Synonyms |
PURH; OK/SW-cl.86; Bifunctional purine biosynthesis protein PURH
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| Target Type | Literature-reported Target | ||||
| Gene Name | ATIC | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 27 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
10-trifluoroacetyl-DDACTHF
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Investigative | Compound Info | ||
| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-(3-fluoro-4-nitro-benzyl)-amino]-benzoylamino}-pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL287700; BDBM50089594
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| Activity |
Ki = 52000 nM
|
[2] | |||
| Compound Name |
N-[4-(Quinoxalin-2-ylsulfamoyl)phenyl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
NSC41806; NSC-41806; N(4)-Acetylsulfaquinoxaline; UNII-7ECX3219Y7; CHEMBL225266; N4-ACETYLSULFAQUINOXALINE; 7ECX3219Y7; SCHEMBL9703960; DTXSID90216532; ZINC1673588; BDBM50158379; NSC 41806; STK448993; AKOS003291145; MCULE-4479014107; NCI60_003948; ST45150465; N-[4-(2-Quinoxalinylsulfamoyl)phenyl]acetamide; N-[4-(quinoxalin-2-ylsulfamoyl)-phenyl]-acetamide; N-(4-((2-Quinoxalinylamino)sulfonyl)phenyl)acetamide; N-{4-[(quinoxalin-2-ylamino)sulfonyl]phenyl}acetamide; Q27896615; Acetamide, N-(4-((2-quinoxalinylamino)sulfonyl)phenyl)-
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| Activity |
IC50 = 54700 nM
|
[3] | |||
| Compound Name |
2-{4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL25889; BDBM50012244
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| Activity |
IC50 ~ 60000 nM
|
[4] | |||
| Compound Name |
2-[[4-[[(2-Amino-4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL157857
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| Activity |
IC50 = 62800 nM
|
[5] | |||
| Compound Name |
3-[(4-Cyanophenyl)sulfonylamino]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4100255; BDBM50243397
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| Activity |
IC50 = 90000 nM
|
[6] | |||
| Compound Name |
N-(4-((3-(2,4-Diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl)amino)benzoyl)glutamic acid
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Investigative | Compound Info | ||
| Synonyms |
543U76; 5-DACTHF; 5,11-Methenyltetrahydrohomofolate; CHEMBL13659; 5-Deazacyclotetrahydrofolate; SCHEMBL9688062; DTXSID90922646; ZINC8642279; BDBM50005520
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| Activity |
IC50 = 94000 nM
|
[7] | |||
| Compound Name |
7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-9-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL122959; BDBM50003057; 3-Amino-2,8-dihydro-7,8,9-trimethyl-1H-pyrrolo[3',4':4,5]pyrido[2,3-d]pyrimidin-1-one
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| Activity |
IC50 ~ 95000 nM
|
[8] | |||
| Compound Name |
Lometrexol
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Investigative | Compound Info | ||
| Synonyms |
UNII-6P3AVY8A7Q; 6P3AVY8A7Q; LY 264618; 5,10-dideazatetrahydrofolic acid; Lometrexolum; Lometrexol [INN:BAN]; Lometrexolum [INN-Latin]; Lometrexol hydrate; DDATHF-B; SCHEMBL18530; Lometrexol(LY 264618); CHEMBL34412; SCHEMBL17520098; BDBM22590; DTXSID50909998; ZINC8577213; CCG-222045; DB12769; NCGC00485206-01; NCGC00485206-02; HY-14521; LY264618; LY-264618; CS-0003423; Q27265261
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
(2S)-2-[[4-[(1S)-4-(2,4-Diamino-6-oxo-1H-pyrimidin-5-yl)-1-methoxybutyl]benzoyl]amino]pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL508910
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| Activity |
Ki ~ 100000 nM
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[9] | |||
| Compound Name |
(2S)-2-[[4-[(1R)-4-(2,4-Diamino-6-oxo-1H-pyrimidin-5-yl)-1-hydroxybutyl]benzoyl]amino]pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL453089
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| Activity |
Ki ~ 100000 nM
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[9] | |||
| Compound Name |
4-Cyano-N-phenylbenzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
4-cyano-N-phenylbenzene-1-sulfonamide; CHEMBL4082237; SCHEMBL14645822; 4-cyano-N-phenyl-benzenesulfonamide; ZINC3071435; BDBM50243398; AKOS000198267; MCULE-9231813115; AB00745146-01; Z45619562
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-[4-[1-(Trifluoroacetyl)-4-(2,6-diamino-4-oxo-3,4-dihydropyrimidine-5-yl)butyl]benzoyl]-L-glutamic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL451818; SCHEMBL5493172
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| Activity |
Ki ~ 100000 nM
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[9] | |||
| Compound Name |
2-[[4-[[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]methyl]benzoyl]amino]pentanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL156308
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| Activity |
IC50 = 100000 nM
|
[5] | |||
| Compound Name |
1,5-Dihydroimidazo[4,5-C][1,2,6]thiadiazin-4(3h)-One 2,2-Dioxide
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Investigative | Compound Info | ||
| Synonyms |
Heterocycle, 1; CHEMBL484860; BDBM22585; Q27452602; 2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-one; 1,7-Dihydroimidazo[4,5-c][1,2,6]thiadiazine-4(3H)-one 2,2-dioxide; 4-Hydroxy-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazine 2,2-dioxide; 1H,3H,4H,7H-2$l^{6},1,3,5,7-imidazo[4,5-c][1,2,6]thiadiazine-2,2,4-trione
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(2S)-2-[[4-[(1S)-4-(2,4-Diamino-6-oxo-1H-pyrimidin-5-yl)-1-hydroxybutyl]benzoyl]amino]pentanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL453348
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| Activity |
Ki ~ 100000 nM
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[9] | |||
| Compound Name |
N-({4-[(1s)-4-(2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl)-1-(Methylsulfanyl)butyl]phenyl}carbonyl)-L-Glutamic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL452322; SCHEMBL21799202; Q27459784; DXY
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| Activity |
Ki ~ 100000 nM
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[9] | |||
| Compound Name |
2-[[4-[[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL157230
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(2S)-2-[[4-[(1R)-4-(2,4-Diamino-6-oxo-1H-pyrimidin-5-yl)-1-methoxybutyl]benzoyl]amino]pentanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL452324
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|
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
N-((1H-Tetrazol-5-yl)methyl)-4-(6-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1,1,1-trifluoro-2-oxohexan-3-yl)benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL381706; BDBM50186740
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
[3,4-Dihydroxy-5r-(2,2,4-Trioxo-1,2r,3s,4r-Tetrahydro-2l6-Imidazo[4,5-C][1,2,6]thiadiazin-7-Yl)tetrahydrofuran-2-Yl]methyl Dihydrogen Phosphate
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|
Investigative | Compound Info | ||
| Synonyms |
Nucleotide, 3; CHEMBL484861; BDBM22588; Q27456957
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
7-(3,4-Dihydroxy-5r-Hydroxymethyltetrahydrofuran-2-Yl)-2,2-Dioxo-1,2r,3r,7-Tetrahydro-2l6-Imidazo[4,5-C][1,2,6]thiadiazin-4s-One
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Investigative | Compound Info | ||
| Synonyms |
Nucleoside, 2; CHEMBL485481; BDBM22587; Q27451652; 7-beta-D-ribofuranosyl-1,7-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
N-({4-[(1r)-4-(2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl)-1-(Methylsulfanyl)butyl]phenyl}carbonyl)-L-Glutamic Acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL453090; Q27459785; DXZ
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
2-(4-(6-(2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-1,1,1-trifluoro-2-oxohexan-3-yl)benzamido)acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL205246; BDBM50186741
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|
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
2,6-Diamino-5-[6-(1,3-benzoxazol-2-yl)-6-oxohexyl]pyrimidin-4(1H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL273174; CTK2A3473; DTXSID10659169; BDBM50374377; 2,6-Diamino-5-(6-(benzo[d]oxazol-2-yl)-6-oxohexyl)pyrimidin-4(1H)-one; 4(1H)-Pyrimidinone, 2,6-diamino-5-[6-(2-benzoxazolyl)-6-oxohexyl]-
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| Activity |
Ki ~ 100000 nM
|
[11] | |||
| Compound Name |
2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL170101; SCHEMBL14469100; BDBM50003896; NSC660025; NSC-660025; 5,6-Dideaza-5,6,7,8-tetrahydrofolic acid; FT-0670839
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| Activity |
IC50 = 130000 nM
|
[12] | |||
| Compound Name |
2-[[4-[[(2-Amino-4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)-methylamino]methyl]benzoyl]amino]pentanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL156551
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| Activity |
IC50 = 141000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
veratridine
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Investigative | Compound Info | ||
| Synonyms |
veratrine; 3-veratroylveracevine
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| Activity |
IC50 = 231300 nM
|
[3] | |||
| Compound Name |
4-(2-(3-Carboxy-4-oxonaphthalen-1(4H)-ylidene)-1-phenylethyl)-1-hydroxy-2-naphthoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL222865; BDBM50158384
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| Activity |
IC50 = 203700 nM
|
[3] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a potent, nonpolyglutamatable inhibitor of glycinamide ribonucleotide transformylase. J Med Chem. 2006 May 18;49(10):2998-3002. | ||||
| REF 2 | Design, synthesis, and biological evaluation of fluoronitrophenyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase. Bioorg Med Chem Lett. 2000 Jul 3;10(13):1471-5. | ||||
| REF 3 | Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identif... J Med Chem. 2004 Dec 30;47(27):6681-90. | ||||
| REF 4 | Folate analogues. 32. Synthesis and biological evaluation of 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid and related compounds. J Med Chem. 1989 Jun;32(6):1284-9. | ||||
| REF 5 | Synthesis and biological evaluation of 5-deazaisofolic acid, 5-deaza-5,6,7,8-tetrahydroisofolic acid, and their N9-substituted analogues. J Med Chem. 1991 Feb;34(2):606-10. | ||||
| REF 6 | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J Med Chem. 2017 Dec 14;60(23):9599-9616. | ||||
| REF 7 | Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. J Med Chem. 1990 Feb;33(2):561-7. | ||||
| REF 8 | 5,10-Methylenetetrahydro-5-deazafolic acid and analogues: synthesis and biological activities. J Med Chem. 1992 Oct 2;35(20):3678-85. | ||||
| REF 9 | Asymmetric synthesis of inhibitors of glycinamide ribonucleotide transformylase. J Med Chem. 2008 Sep 11;51(17):5441-8. | ||||
| REF 10 | Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase. J Biol Chem. 2007 Apr 27;282(17):13033-46. | ||||
| REF 11 | Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. | ||||
| REF 12 | Synthesis and biological activity of open-chain analogues of 5,6,7,8-tetrahydrofolic acid--potential antitumor agents. J Med Chem. 1992 Apr 17;35(8):1399-410. | ||||
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