Detailed information for compound 567770

Basic information

Technical information
  • TDR Targets ID: 567770
  • Name: 2-amino-4-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-( hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl- 2,6-dioxo-pyrimidin-1-yl]butanoic acid
  • MW: 359.332 | Formula: C14H21N3O8
  • H donors: 5 H acceptors: 7 LogP: -5.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1cn(C)c(=O)n(c1=O)CCC(C(=O)O)N
  • InChi: 1S/C14H21N3O8/c1-16-4-6(11-10(20)9(19)8(5-18)25-11)12(21)17(14(16)24)3-2-7(15)13(22)23/h4,7-11,18-20H,2-3,5,15H2,1H3,(H,22,23)/t7?,8-,9-,10-,11+/m1/s1
  • InChiKey: CTPQMQZKRWLMRA-LYTXVXJPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-4-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3-methyl-2,6-dioxo-1-pyrimidinyl]butanoic acid
  • 2-azanyl-4-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-2,6-dioxo-pyrimidin-1-yl]butanoic acid
  • 2-amino-4-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2,6-diketo-3-methyl-pyrimidin-1-yl]butyric acid
  • 2-amino-4-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-2,6-dioxopyrimidin-1-yl]butanoic acid
  • 3-(3-amino-3-carboxypropyl)-1-methylpseudouridine
  • 2-amino-4-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-2,6-dioxo-pyrimidin-1-yl]butanoic acid
  • 52777-29-4
  • Acpmpsu
  • 1(2H)-Pyrimidinebutanoic acid, alpha-amino-3,6-dihydro-3-methyl-2,6-dioxo-5-beta-D-ribofuranosyl-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.078 0.0866
Mycobacterium leprae conserved hypothetical protein 0.0038 0.078 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.078 0.0866
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1353 0.2142
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0071 0.0112
Brugia malayi Bromodomain containing protein 0.008 0.2298 0.4631
Schistosoma mansoni bromodomain containing protein 0.013 0.4111 0.4111
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.078 0.078
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.078 0.1658
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.262 0.4148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.262 0.262
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.1114 0.2369
Brugia malayi mbt repeat family protein 0.0048 0.1114 0.2246
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.078 1
Brugia malayi beta-lactamase family protein 0.0038 0.078 0.1572
Loa Loa (eye worm) acetyltransferase 0.0147 0.4704 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0327 0.3633
Schistosoma mansoni ap endonuclease 0.0019 0.0071 0.0071
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.3994 0.8491
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0123 0.3851 0.6096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1314 0.2648
Echinococcus multilocularis zinc finger protein 0.0043 0.0939 0.1486
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0191 0.6317 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.063 0.063
Schistosoma mansoni zinc finger protein 0.0043 0.0939 0.0939
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0071 0.0112
Loa Loa (eye worm) beta-lactamase 0.0038 0.078 0.1658
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.078 0.1235
Loa Loa (eye worm) hypothetical protein 0.0048 0.1114 0.2369
Brugia malayi beta-lactamase 0.0038 0.078 0.1572
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.078 0.1235
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1353 0.2142
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.4704 0.9482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.262 0.262
Brugia malayi MH2 domain containing protein 0.0127 0.3994 0.8051
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.063 0.0997
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1353 0.2142
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1314 0.2648
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.063 0.063
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0327 0.3622
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0706 0.1422
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.063 0.0997
Loa Loa (eye worm) hypothetical protein 0.0077 0.2177 0.4627
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.078 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.1075 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.078 0.7059
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.063 0.063
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.1075 1
Trichomonas vaginalis esterase, putative 0.0038 0.078 0.7059
Leishmania major hypothetical protein, conserved 0.0026 0.0327 0.3622
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0778 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.1075 1
Loa Loa (eye worm) bromodomain containing protein 0.0039 0.08 0.1701
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.1028 0.1628
Schistosoma mansoni zinc finger protein 0.0031 0.0502 0.0502
Leishmania major hypothetical protein, conserved 0.0031 0.0502 0.6087
Trypanosoma brucei ISWI complex protein 0.0031 0.0502 0.6087
Loa Loa (eye worm) hypothetical protein 0.0085 0.2475 0.526
Mycobacterium ulcerans hypothetical protein 0.0038 0.078 1
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0889 0.1891
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.078 1
Loa Loa (eye worm) MBCTL1 0.0054 0.1353 0.2876
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.078 0.7059
Toxoplasma gondii ABC1 family protein 0.0038 0.078 0.7059
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0327 0.3622
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.063 0.063
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.078 0.7059
Mycobacterium leprae Probable lipase LipE 0.0038 0.078 0.5
Onchocerca volvulus 0.0048 0.1114 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1353 0.1353
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.262 0.4148
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0245 0.8259 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.078 0.7059
Schistosoma mansoni hypothetical protein 0.0036 0.0706 0.0706
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.262 0.4148
Loa Loa (eye worm) hypothetical protein 0.0034 0.063 0.1338
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2 0.3166
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1353 0.2727
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.078 0.7059
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0778 1
Trypanosoma cruzi ISWI complex protein 0.0031 0.0502 0.6087
Brugia malayi beta-lactamase family protein 0.0038 0.078 0.1572
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0123 0.3851 0.6096
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0327 0.3622
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1114 0.1114
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0327 0.3633
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.1028 0.1028
Loa Loa (eye worm) hypothetical protein 0.0038 0.078 0.1658
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.078 0.0866
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.262 0.5281
Loa Loa (eye worm) hypothetical protein 0.0089 0.2613 0.5555
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.4704 0.4704
Brugia malayi mbt repeat family protein 0.0048 0.1114 0.2246
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.1114 0.1114
Mycobacterium tuberculosis Conserved protein 0.0038 0.078 0.0866
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0327 0.2556
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.1075 0.1703
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0191 0.6317 1
Schistosoma mansoni ap endonuclease 0.0019 0.0071 0.0071
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.3994 0.8491
Schistosoma mansoni hypothetical protein 0.0031 0.0502 0.0502
Mycobacterium tuberculosis Conserved protein 0.0038 0.078 0.0866
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.262 0.262
Loa Loa (eye worm) hypothetical protein 0.0038 0.078 0.1658
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.078 0.1572
Leishmania major hypothetical protein, conserved 0.0038 0.078 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.4525 0.9619
Schistosoma mansoni hypothetical protein 0.0041 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0054 0.1353 0.2876
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.1075 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.262 0.4148
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.262 0.557
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.1114 0.1764
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.078 0.078
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0071 0.015
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.1114 0.1764
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.1114 0.1764
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0071 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.063 0.0997
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0071 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2 0.3166
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.078 0.0866
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.4704 0.7447
Loa Loa (eye worm) hypothetical protein 0.0026 0.0327 0.0696
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1314 0.2793
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.1028 0.1628
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.078 0.0866
Echinococcus granulosus zinc finger protein 0.0043 0.0939 0.1486
Loa Loa (eye worm) hypothetical protein 0.0053 0.1314 0.2793
Mycobacterium tuberculosis Conserved protein 0.0038 0.078 0.0866
Loa Loa (eye worm) hypothetical protein 0.0038 0.078 0.1658
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.078 1
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.078 0.0866
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.4388 0.6947
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.1114 0.1764
Brugia malayi Bromodomain containing protein 0.0154 0.4961 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1353 0.2142
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.078 0.0866
Loa Loa (eye worm) hypothetical protein 0.0038 0.078 0.1658
Brugia malayi hypothetical protein 0.0026 0.0327 0.066
Brugia malayi PHD-finger family protein 0.0053 0.1326 0.2672
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.063 0.0997
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1114 0.1114
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.1114 1
Mycobacterium ulcerans beta-lactamase 0.0038 0.078 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.078 0.1658
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0071 0.0142
Loa Loa (eye worm) hypothetical protein 0.0038 0.078 0.1658
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.078 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0327 0.2556
Trypanosoma cruzi ISWI complex protein 0.0031 0.0502 0.6087
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0778 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0706 0.15
Mycobacterium ulcerans lipase LipD 0.0038 0.078 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.1075 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.078 0.7059

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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