Detailed information for compound 79385

Basic information

Technical information
  • TDR Targets ID: 79385
  • Name: 2-amino-6-(3-chloro-5-fluoroanilino)-1H-pyrim idin-4-one
  • MW: 254.648 | Formula: C10H8ClFN4O
  • H donors: 3 H acceptors: 3 LogP: 2.44 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(Nc2cc(O)nc(n2)N)cc(c1)Cl
  • InChi: 1S/C10H8ClFN4O/c11-5-1-6(12)3-7(2-5)14-8-4-9(17)16-10(13)15-8/h1-4H,(H4,13,14,15,16,17)
  • InChiKey: XLBQLHSDXCLIDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-6-(3-chloro-5-fluoro-anilino)-1H-pyrimidin-4-one
  • 2-azanyl-6-[(3-chloro-5-fluoro-phenyl)amino]-1H-pyrimidin-4-one
  • 2-amino-6-[(3-chloro-5-fluorophenyl)amino]-1H-pyrimidin-4-one
  • 2-amino-6-[(3-chloro-5-fluoro-phenyl)amino]-1H-pyrimidin-4-one
  • 4(3H)-Pyrimidinone, 2-amino-6-[(3-chloro-5-fluorophenyl)amino]-
  • AIDS-192976
  • AIDS192976

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
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0563 1 1
Echinococcus granulosus 6 phosphogluconolactonase 0.0135 0.2007 0.1875
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0163 0.0163
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0135 0.2007 0.1875
Chlamydia trachomatis glucose-6-phosphate isomerase 0.005 0.0414 0.1358
Plasmodium falciparum 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0118 0.1687 0.1549
Trypanosoma cruzi glucose-6-phosphate isomerase, glycosomal, putative 0.005 0.0414 0.0255
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0163 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Schistosoma mansoni glucosamine-6-phosphate isomerase 0.0039 0.0215 0.0052
Entamoeba histolytica glucose-6-phosphate isomerase, putative 0.005 0.0414 0.0379
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0039 0.0215 0.0052
Echinococcus multilocularis glucose 6 phosphate isomerase 0.005 0.0414 0.0395
Mycobacterium leprae Probable 6-phosphogluconolactonase DevB (6PGL) 0.0135 0.2007 0.8235
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0563 1 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0563 1 1
Schistosoma mansoni transcription initiation factor iia (tfiia) gamma chain 0.0048 0.0373 0.0213
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0118 0.1687 0.2875
Giardia lamblia Glucose-6-phosphate isomerase 0.005 0.0414 0.0472
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0097
Leishmania major 6-phosphogluconolactonase 0.0135 0.2007 0.1875
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0163 0.0163
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0135 0.2007 0.2007
Brugia malayi 6-phosphogluconolactonase family protein 0.0135 0.2007 0.1875
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0039 0.0215 0.0097
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating 0.007 0.0795 0.0642
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0118 0.1687 0.2875
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Leishmania major fructose-1,6-bisphosphate aldolase 0.0563 1 1
Plasmodium vivax glucose-6-phosphate isomerase, putative 0.005 0.0414 0.0255
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0118 0.1687 0.1549
Schistosoma mansoni 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.1549
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0563 1 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0563 1 1
Loa Loa (eye worm) pgd protein 0.0118 0.1687 0.1687
Leishmania major 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0118 0.1687 0.1549
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0563 1 1
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase Gnd1 0.0118 0.1687 0.6803
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0039 0.0215 0.0097
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0156 0.2403 1
Mycobacterium tuberculosis Probable 6-phosphogluconolactonase DevB (6PGL) 0.0096 0.1273 0.4955
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0163 0.5
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0563 1 1
Plasmodium falciparum glucose-6-phosphate isomerase 0.005 0.0414 0.0255
Giardia lamblia Glucosamine-6-phosphate deaminase 0.0039 0.0215 0.0097
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Brugia malayi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0118 0.1687 0.1549
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.1549
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0563 1 1
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0052
Brugia malayi glucose phosphate isomerase a 0.005 0.0414 0.0255
Treponema pallidum fructose-bisphosphate aldolase 0.032 0.5462 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0048 0.0373 0.0213
Echinococcus multilocularis 6 phosphogluconate dehydrogenase 0.0118 0.1687 0.167
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.1549
Chlamydia trachomatis 6-phosphogluconolactonase 0.0135 0.2007 1
Plasmodium vivax 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0118 0.1687 0.1549
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0135 0.2007 0.1875
Brugia malayi fructose-bisphosphate aldolase 1 0.0563 1 1
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0563 1 1
Mycobacterium ulcerans 6-phosphogluconolactonase 0.0135 0.2007 0.8235
Trypanosoma brucei 6-phosphogluconate dehydrogenase, decarboxylating 0.0118 0.1687 0.1549
Mycobacterium leprae PROBABLE 6-PHOSPHOGLUCONATE DEHYDROGENASE GND1 0.0118 0.1687 0.6803
Leishmania major glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0052
Plasmodium falciparum fructose-bisphosphate aldolase 0.0563 1 1
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.6803
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.0414
Echinococcus granulosus 6 phosphogluconate dehydrogenase 0.0118 0.1687 0.1549
Trypanosoma brucei glucose-6-phosphate isomerase, glycosomal 0.005 0.0414 0.0255
Echinococcus multilocularis 6 phosphogluconolactonase 0.0135 0.2007 0.1992
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0039 0.0215 0.0052
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0563 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.032 0.5462 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.032 0.5462 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0563 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0163 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.032 0.5462 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0039 0.0215 0.0052
Trichomonas vaginalis glucose-6-phosphate isomerase, putative 0.005 0.0414 0.0472
Echinococcus multilocularis pyruvate kinase 0.0037 0.0163 0.0144
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase, decarboxylating Gnd2 0.0118 0.1687 0.6803
Trichomonas vaginalis 3-hydroxyisobutyrate dehydrogenase, putative 0.0118 0.1687 0.2875
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0563 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Mycobacterium tuberculosis Probable glucose-6-phosphate isomerase Pgi (GPI) (phosphoglucose isomerase) (phosphohexose isomerase) (phi) 0.005 0.0414 0.1118
Trypanosoma cruzi glucose-6-phosphate isomerase, glycosomal, putative 0.005 0.0414 0.0255
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0563 1 1
Schistosoma mansoni 6-phosphogluconolactonase 0.0135 0.2007 0.1875
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0563 1 1
Trypanosoma brucei 6-phosphogluconolactonase 0.0135 0.2007 0.1875
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0563 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.032 0.5462 1
Giardia lamblia Glucosamine-6-phosphate deaminase 0.0039 0.0215 0.0097
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0052
Chlamydia trachomatis 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.8261
Trichomonas vaginalis glucose-6-phosphate isomerase, putative 0.005 0.0414 0.0472
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0563 1 1
Echinococcus granulosus glucose 6 phosphate isomerase 0.005 0.0414 0.0255
Echinococcus multilocularis pyruvate kinase 0.0037 0.0163 0.0144
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0563 1 1
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.6803
Leishmania major glucose-6-phosphate isomerase 0.005 0.0414 0.0255
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0163 0.5
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0563 1 1
Mycobacterium leprae Probable glucose-6-phosphate isomerase Pgi (phosphoglucose isomerase) (phosphohexose isomerase) (PHI) 0.005 0.0414 0.1118
Schistosoma mansoni 6-phosphogluconolactonase 0.0135 0.2007 0.1875
Mycobacterium ulcerans glucose-6-phosphate isomerase 0.005 0.0414 0.1118
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0097
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0156 0.2403 1
Toxoplasma gondii glucose-6-phosphate isomerase GPI 0.005 0.0414 0.0255
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0563 1 1
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0563 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0097
Loa Loa (eye worm) phosphoglucose isomerase 0.005 0.0414 0.0414
Giardia lamblia 6-phosphogluconate dehydrogenase, decarboxylating 0.0118 0.1687 0.2875
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0135 0.2007 0.3157
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0163
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0156 0.2403 1
Treponema pallidum 6-phosphogluconate dehydrogenase 0.0118 0.1687 0.2521
Trypanosoma brucei glucosamine-6-phosphate isomerase, putative 0.0039 0.0215 0.0052
Schistosoma mansoni glucose-6-phosphate isomerase 0.005 0.0414 0.0255
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0563 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 200 uM Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. ChEMBL. 7752205
IC50 (functional) > 200 uM Inhibition against DNA of uninfected HEL cells by incorporation of [3H]-TdR. ChEMBL. 7752205
IC50 (functional) > 200 uM Inhibition of human CMV DNA synthesis in CMV-infected HEL cells. ChEMBL. 7752205
IC50 (functional) > 200 uM Inhibition against DNA of uninfected HEL cells by incorporation of [3H]-TdR. ChEMBL. 7752205

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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