Detailed information for compound 233658

Basic information

Technical information
  • TDR Targets ID: 233658
  • Name: 4-amino-1-[(Z)-4-hydroxybut-2-enyl]pyrimidin- 2-one
  • MW: 181.192 | Formula: C8H11N3O2
  • H donors: 2 H acceptors: 2 LogP: -1.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccn(c(=O)n1)C/C=C\CO
  • InChi: 1S/C8H11N3O2/c9-7-3-5-11(8(13)10-7)4-1-2-6-12/h1-3,5,12H,4,6H2,(H2,9,10,13)/b2-1-
  • InChiKey: HGNXPEBCWGQXGP-UPHRSURJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-1-[(Z)-4-hydroxybut-2-enyl]-2-pyrimidinone
  • 4-azanyl-1-[(Z)-4-hydroxybut-2-enyl]pyrimidin-2-one
  • 1-((Z)-4-Hydroxybut-2-en-1-yl]cytosine
  • AIDS-087794
  • AIDS087794

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
Schistosoma mansoni cpg binding protein 0.0039 0.0596 0.0566
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0352 0.6669 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0016 0.0145 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1759 0.3859
Loa Loa (eye worm) hypothetical protein 0.0081 0.1414 0.3088
Brugia malayi jmjC domain containing protein 0.0024 0.0306 0.0614
Loa Loa (eye worm) hypothetical protein 0.0018 0.0192 0.0358
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.003 0.0429 0.0888
Schistosoma mansoni jumonji domain containing protein 0.0047 0.0753 0.0723
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Brugia malayi hypothetical protein 0.0016 0.0145 0.0252
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.1035 0.2243
Schistosoma mansoni hypothetical protein 0.0018 0.0192 0.0161
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.003 0.0429 0.0399
Toxoplasma gondii HEAT repeat-containing protein 0.0018 0.0188 0.1332
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0352 0.6669 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0181 0.335 1
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0192 0.0288
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0188 0.0882
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0013 0.0097 0.0145
Schistosoma mansoni aldehyde dehydrogenase 0.004 0.0621 0.0591
Schistosoma mansoni hypothetical protein 0.019 0.3537 0.3516
Onchocerca volvulus Huntingtin homolog 0.0081 0.1414 0.487
Trypanosoma brucei PAB1-binding protein , putative 0.0016 0.0145 0.0636
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0018 0.0187 0.0156
Echinococcus granulosus geminin 0.0105 0.1876 0.185
Schistosoma mansoni ran 0.0013 0.0097 0.0065
Schistosoma mansoni hypothetical protein 0.0164 0.3031 0.3009
Schistosoma mansoni hypothetical protein 0.0523 1 1
Schistosoma mansoni hypothetical protein 0.0076 0.1318 0.1291
Schistosoma mansoni hypothetical protein 0.0076 0.1318 0.1291
Echinococcus granulosus muscleblind protein 0.0099 0.1759 0.1733
Onchocerca volvulus 0.0037 0.0555 0.1448
Echinococcus granulosus tar DNA binding protein 0.0061 0.1035 0.1007
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0013 0.0097 0.0065
Echinococcus multilocularis peregrin 0.0018 0.0192 0.0161
Entamoeba histolytica fatty acid elongase, putative 0.0046 0.0729 0.1942
Echinococcus multilocularis lysine specific demethylase 5A 0.0022 0.0266 0.0235
Leishmania major GTP-binding protein, putative 0.0013 0.0097 0.1104
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0013 0.0097 0.5764
Trypanosoma brucei RNA helicase, putative 0.0101 0.1806 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0352 0.6669 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0032 0.0001
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1035 0.1007
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.1207 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0013 0.0097 0.0145
Schistosoma mansoni hypothetical protein 0.0105 0.1876 0.185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Schistosoma mansoni cpg binding protein 0.0037 0.0555 0.0525
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0147 0.0115
Echinococcus granulosus GPCR family 2 0.0076 0.1318 0.1291
Schistosoma mansoni jumonji/arid domain-containing protein 0.0024 0.0306 0.0275
Trichomonas vaginalis set domain proteins, putative 0.0147 0.2701 0.806
Brugia malayi MH2 domain containing protein 0.0116 0.2091 0.4601
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0076 0.1318 0.1291
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.1035 0.2243
Brugia malayi TAR-binding protein 0.0061 0.1035 0.2243
Echinococcus multilocularis dnaJ subfamily B 0.0523 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0076 0.1318 0.2874
Echinococcus granulosus peregrin 0.0018 0.0192 0.0161
Loa Loa (eye worm) hypothetical protein 0.0019 0.0216 0.0412
Entamoeba histolytica fatty acid elongase, putative 0.0046 0.0729 0.1942
Toxoplasma gondii aldehyde dehydrogenase 0.004 0.0621 0.5018
Plasmodium vivax ataxin-2 like protein, putative 0.0016 0.0145 0.0217
Trichomonas vaginalis importin beta-1, putative 0.0014 0.0123 0.0356
Brugia malayi Importin beta-1 subunit 0.0018 0.0188 0.035
Loa Loa (eye worm) hypothetical protein 0.0018 0.0188 0.035
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.004 0.0621 1
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0188 0.0348
Echinococcus granulosus cpg binding protein 0.0039 0.0596 0.0566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.003 0.0429 0.0399
Loa Loa (eye worm) pigment dispersing factor receptor c 0.024 0.4508 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0014 0.0123 0.0356
Brugia malayi Pre-SET motif family protein 0.0019 0.0216 0.0412
Schistosoma mansoni hypothetical protein 0.0076 0.1318 0.1291
Echinococcus multilocularis tar DNA binding protein 0.0061 0.1035 0.1007
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0019 0.0216 0.1568
Echinococcus multilocularis muscleblind protein 0.0099 0.1759 0.1733
Schistosoma mansoni aldehyde dehydrogenase 0.004 0.0621 0.0591
Echinococcus multilocularis microtubule associated protein 2 0.0427 0.8125 0.8119
Brugia malayi Bromodomain containing protein 0.0018 0.0192 0.0358
Echinococcus multilocularis GPCR, family 2 0.0076 0.1318 0.1291
Echinococcus granulosus microtubule associated protein 2 0.0427 0.8125 0.8119
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0352 0.6669 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0018 0.0192 0.1365
Loa Loa (eye worm) hypothetical protein 0.0164 0.3031 0.6702
Brugia malayi Pre-SET motif family protein 0.013 0.2356 0.5193
Entamoeba histolytica fatty acid elongase, putative 0.0046 0.0729 0.1942
Echinococcus multilocularis geminin 0.0105 0.1876 0.185
Treponema pallidum fructose-bisphosphate aldolase 0.0181 0.335 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0018 0.0192 0.0358
Schistosoma mansoni ran 0.0013 0.0097 0.0065
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0216 0.0185
Schistosoma mansoni microtubule-associated protein tau 0.0427 0.8125 0.8119
Echinococcus granulosus PHD finger protein rhinoceros 0.0018 0.0192 0.0161
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0032 0.0001
Loa Loa (eye worm) latrophilin receptor protein 2 0.0076 0.1318 0.2874
Trichomonas vaginalis ran, putative 0.0013 0.0097 0.0278
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0088 0.1556 0.1546
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0352 0.6669 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0181 0.335 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Echinococcus granulosus importin subunit beta 1 0.0018 0.0188 0.0157
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.001 0.0032 0.0048
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1035 0.1007
Plasmodium vivax importin-beta 2, putative 0.0018 0.0188 0.0282
Plasmodium vivax SET domain protein, putative 0.0019 0.0216 0.0324
Giardia lamblia PHD finger protein 15 0.0018 0.0192 0.0293
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.001 0.0032 0.0048
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0019 0.0216 0.0185
Trypanosoma cruzi importin beta-1 subunit, putative 0.0014 0.0123 0.806
Brugia malayi CXXC zinc finger family protein 0.0037 0.0555 0.117
Brugia malayi RNA, U transporter 1 0.0051 0.0826 0.1775
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0352 0.6669 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0013 0.0097 0.5764
Loa Loa (eye worm) hypothetical protein 0.0031 0.0442 0.0917
Brugia malayi jmjC domain containing protein 0.0059 0.0988 0.2137
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.004 0.0621 0.0591
Schistosoma mansoni cpg binding protein 0.0039 0.0596 0.0566
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0019 0.0216 0.0185
Echinococcus multilocularis cpg binding protein 0.0039 0.0596 0.0566
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.003 0.0429 0.0888
Loa Loa (eye worm) hypothetical protein 0.0099 0.1759 0.3859
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0013 0.0097 0.0367
Entamoeba histolytica fatty acid elongase, putative 0.0046 0.0729 0.1942
Entamoeba histolytica hypothetical protein 0.0014 0.0123 0.008
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0216 0.0185
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0988 0.096
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0032 0.0001
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0088 0.1556 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0145 0.0252
Brugia malayi RNA binding protein 0.0061 0.1035 0.2243
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0188 0.0882
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0181 0.335 1
Echinococcus granulosus lysine specific demethylase 5A 0.0024 0.0306 0.0275
Brugia malayi Muscleblind-like protein 0.0099 0.1759 0.3859
Schistosoma mansoni hypothetical protein 0.0101 0.1806 0.178
Echinococcus multilocularis snurportin 1 0.019 0.3537 0.3516
Brugia malayi hypothetical protein 0.001 0.0037 0.0013
Echinococcus multilocularis jumonji domain containing protein 0.0025 0.0329 0.0298
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0216 0.0185
Brugia malayi hypothetical protein 0.0081 0.1414 0.3088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.024 0.4508 1
Brugia malayi latrophilin 2 splice variant baaae 0.0164 0.3031 0.6702
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0076 0.0044
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0076 0.1318 0.1291
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2091 0.4601
Brugia malayi Calcitonin receptor-like protein seb-1 0.024 0.4508 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0076 0.0044
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0013 0.0097 0.0145
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0013 0.0097 0.0145
Plasmodium falciparum phd finger protein, putative 0.0018 0.0192 0.0288
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1035 0.1007
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.004 0.0621 0.0591
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0988 0.096
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1035 0.1007
Loa Loa (eye worm) hypothetical protein 0.0076 0.1318 0.2874
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Loa Loa (eye worm) TAR-binding protein 0.0061 0.1035 0.2243
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.003 0.0429 0.0399
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0216 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Entamoeba histolytica fatty acid elongase, putative 0.0046 0.0729 0.1942
Brugia malayi PHD-finger family protein 0.0018 0.0192 0.0358
Onchocerca volvulus Huntingtin homolog 0.0081 0.1414 0.487
Echinococcus multilocularis importin subunit beta 1 0.0018 0.0188 0.0157
Loa Loa (eye worm) CXXC zinc finger family protein 0.0037 0.0555 0.117
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0088 0.1556 0.2296
Plasmodium falciparum ataxin-2 like protein, putative 0.0016 0.0145 0.0217
Schistosoma mansoni hypothetical protein 0.0076 0.1318 0.1291
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0429 0.0399
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0079 0.1368 0.1341
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.019 0.3537 0.7832
Echinococcus granulosus jumonji domain containing protein 0.0025 0.0329 0.0298
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0013 0.0097 0.0554
Onchocerca volvulus 0.0147 0.2701 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0014 0.0123 0.0356
Toxoplasma gondii LsmAD domain-containing protein 0.0016 0.0145 0.0961
Loa Loa (eye worm) hypothetical protein 0.0081 0.1414 0.3088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0018 0.0192 0.0161
Loa Loa (eye worm) jmjC domain-containing protein 0.0024 0.0306 0.0614
Plasmodium falciparum importin beta, putative 0.0018 0.0188 0.0282
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.003 0.0429 0.0399
Schistosoma mansoni hypothetical protein 0.0105 0.1876 0.185
Schistosoma mansoni importin beta-1 0.0018 0.0188 0.0157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.335 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.1035 0.2243
Echinococcus granulosus GTP binding nuclear protein Ran 0.0013 0.0097 0.0065
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0076 0.0099
Brugia malayi Latrophilin receptor protein 2 0.0076 0.1318 0.2874
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.013 0.2356 0.5193
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0076 0.1318 0.1291
Echinococcus granulosus snurportin 1 0.019 0.3537 0.3516
Leishmania major importin beta-1 subunit, putative 0.0014 0.0123 0.1544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0429 0.0399
Plasmodium falciparum ataxin-2 like protein, putative 0.0016 0.0145 0.0217
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2091 0.4601
Toxoplasma gondii PHD-finger domain-containing protein 0.0018 0.0192 0.1365
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0565 0.1191
Echinococcus multilocularis PHD finger protein rhinoceros 0.0018 0.0192 0.0161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.003 0.0429 0.0399
Onchocerca volvulus 0.0019 0.0216 0.0095
Loa Loa (eye worm) hypothetical protein 0.024 0.4508 1
Echinococcus multilocularis muscleblind protein 1 0.0099 0.1759 0.1733
Schistosoma mansoni jumonji/arid domain-containing protein 0.0024 0.0306 0.0275
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0352 0.6669 1
Leishmania major hypothetical protein, conserved 0.0016 0.0145 0.1916
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.004 0.0621 0.0888
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0076 0.1318 0.1291
Trypanosoma cruzi PAB1-binding protein , putative 0.0016 0.0145 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0032 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0216 0.0185
Schistosoma mansoni tar DNA-binding protein 0.0061 0.1035 0.1007
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0352 0.6669 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 1000 uM Inhibitory activity against murine leukemia L1210 cells ChEMBL. 1992143
IC50 (functional) > 1000 uM Inhibitory activity against murine leukemia L1210 cells ChEMBL. 1992143

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

1 literature reference was collected for this gene.

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