Detailed information for compound 576606

Basic information

Technical information
  • TDR Targets ID: 576606
  • Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymet hyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl) pyrimidin-2-one
  • MW: 295.215 | Formula: C10H12F3N3O4
  • H donors: 3 H acceptors: 3 LogP: -0.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(nc1=O)N)C(F)(F)F
  • InChi: 1S/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6+,7+/m0/s1
  • InChiKey: XNSPCSMIPDACTB-RRKCRQDMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-(trifluoromethyl)-2-pyrimidinone
  • 4-azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
  • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
  • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
  • 5-trifluoromethyl-2'-deoxycytidine
  • 66384-66-5
  • 2'-Deoxy-5-trifluoromethylcytidine
  • Cytidine, 2'-deoxy-5-(trifluoromethyl)-
  • TFMDC
  • ZINC03595423

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
Brugia malayi RNA binding protein 0.0063 0.0134 0.044
Brugia malayi hypothetical protein 0.0147 0.0541 0.1779
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0667 0.6394
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0031 0.0468
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.0624 0.1469
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1939 0.9283 1
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0956 0.4487 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1043 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0147 0.0541 0.1205
Echinococcus multilocularis 0.0147 0.0541 0.0697
Schistosoma mansoni hypothetical protein 0.0041 0.0023 0.0332
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1043 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.1043 0.3432
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0011 0.0015
Schistosoma mansoni amine oxidase 0.0147 0.0541 0.7765
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.0246 0.0265
Echinococcus granulosus lysine specific histone demethylase 1A 0.0147 0.0541 0.8287
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0134 0.192
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0179 0.0696 0.2291
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0134 0.192
Brugia malayi Common central domain of tyrosinase family protein 0.0179 0.0696 0.2291
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.0293 0.5422
Echinococcus multilocularis geminin 0.017 0.0652 0.0841
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0134 0.044
Leishmania major telomerase reverse transcriptase, putative 0.0248 0.1032 1
Giardia lamblia Telomerase catalytic subunit 0.0248 0.1032 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0023 0.0332
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0956 0.4487 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.0541 0.5182
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Onchocerca volvulus 0.0179 0.0696 0.1639
Loa Loa (eye worm) hypothetical protein 0.0147 0.0541 0.5182
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.0246 0.0265
Brugia malayi Telomerase reverse transcriptase 0.0659 0.3039 1
Echinococcus multilocularis protein dispatched 1 0.0048 0.006 0.0077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0277 0.398
Trypanosoma cruzi UDP-galactopyranose mutase 0.0147 0.0541 0.5237
Plasmodium vivax telomerase reverse transcriptase, putative 0.0248 0.1032 0.23
Entamoeba histolytica fatty acid elongase, putative 0.0124 0.043 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0179 0.0696 0.2291
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0956 0.4487 0.4487
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0956 0.4487 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0147 0.0541 0.1205
Mycobacterium tuberculosis Possible oxidoreductase 0.0147 0.0541 0.0582
Echinococcus multilocularis protoporphyrinogen oxidase 0.0147 0.0541 0.0697
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0179 0.0696 0.2291
Trypanosoma cruzi UDP-galactopyranose mutase 0.0147 0.0541 0.5237
Mycobacterium tuberculosis Conserved hypothetical protein 0.0147 0.0541 0.0582
Plasmodium falciparum protoporphyrinogen oxidase 0.0147 0.0541 0.1187
Plasmodium vivax hypothetical protein, conserved 0.0147 0.0541 0.1205
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0179 0.0696 0.2291
Echinococcus granulosus tar DNA binding protein 0.0063 0.0134 0.2049
Schistosoma mansoni hypothetical protein 0.017 0.0652 0.937
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0956 0.4487 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0147 0.0541 0.1779
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0948 0.1022
Loa Loa (eye worm) hypothetical protein 0.0052 0.0077 0.0738
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0277 0.0357
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0134 0.1281
Mycobacterium ulcerans dehydrogenase 0.0147 0.0541 0.0541
Brugia malayi Thioredoxin reductase 0.0038 0.0009 0.003
Brugia malayi SWIRM domain containing protein 0.0147 0.0541 0.1779
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.0305 0.468
Loa Loa (eye worm) hypothetical protein 0.0042 0.0031 0.0293
Loa Loa (eye worm) hypothetical protein 0.0069 0.0161 0.1547
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0134 0.192
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.0512 0.066
Mycobacterium ulcerans oxidoreductase 0.0147 0.0541 0.0541
Leishmania major trypanothione reductase 0.0038 0.0009 0.0087
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0277 0.2657
Entamoeba histolytica fatty acid elongase, putative 0.0124 0.043 1
Echinococcus granulosus geminin 0.017 0.0652 1
Brugia malayi glutathione reductase 0.0038 0.0009 0.003
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Brugia malayi TAR-binding protein 0.0063 0.0134 0.044
Entamoeba histolytica fatty acid elongase, putative 0.0124 0.043 1
Schistosoma mansoni amine oxidase 0.0147 0.0541 0.7765
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0147 0.0541 0.1187
Schistosoma mansoni tyrosinase precursor 0.0179 0.0696 1
Echinococcus granulosus expressed conserved protein 0.0093 0.0276 0.4232
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0134 0.0172
Onchocerca volvulus 0.0179 0.0696 0.1639
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0147 0.0541 0.0697
Schistosoma mansoni hypothetical protein 0.0069 0.0161 0.2317
Loa Loa (eye worm) hypothetical protein 0.0147 0.0541 0.5182
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0956 0.4487 0.4487
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0147 0.0541 0.1187
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Schistosoma mansoni hypothetical protein 0.017 0.0652 0.937
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1043 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0134 0.1281
Loa Loa (eye worm) hypothetical protein 0.0147 0.0541 0.5182
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0031 0.0293
Entamoeba histolytica fatty acid elongase, putative 0.0124 0.043 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0956 0.4487 0.4834
Trypanosoma brucei telomerase reverse transcriptase 0.0248 0.1032 1
Toxoplasma gondii RNA-directed DNA polymerase 0.0248 0.1032 1
Brugia malayi CHE-14 protein 0.0042 0.0031 0.01
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0248 0.1032 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0696 0.6674
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0031 0.0293
Loa Loa (eye worm) RNA binding protein 0.0063 0.0134 0.1281
Schistosoma mansoni hypothetical protein 0.0041 0.0023 0.0332
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0147 0.0541 0.5237
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0313 0.4492
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0147 0.0541 0.7765
Plasmodium falciparum telomerase reverse transcriptase 0.0248 0.1032 0.2285
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0277 0.398
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0134 0.192
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0277 0.0912
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0277 0.398
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0277 0.4248
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Leishmania major UDP-galactopyranose mutase 0.0147 0.0541 0.5237
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0147 0.0541 1
Toxoplasma gondii histone lysine-specific demethylase 0.0147 0.0541 0.5237
Onchocerca volvulus 0.0147 0.0541 0.1273
Loa Loa (eye worm) ShTK domain-containing protein 0.0179 0.0696 0.6674
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0907 0.4247 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0277 0.0357
Brugia malayi ShTK domain containing protein 0.0179 0.0696 0.2291
Echinococcus multilocularis protein patched 0.0042 0.0031 0.0039
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0956 0.4487 0.4487
Loa Loa (eye worm) tyrosinase 1 0.0179 0.0696 0.6674
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1043 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0317 0.1045
Toxoplasma gondii thioredoxin reductase 0.0038 0.0009 0.0087
Schistosoma mansoni patched 1 0.0042 0.0031 0.0439
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0011 0.0176
Mycobacterium ulcerans monoamine oxidase 0.0147 0.0541 0.0541
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1626 0.7754 1
Loa Loa (eye worm) glutathione reductase 0.0038 0.0009 0.0086
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0277 0.4248
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0147 0.0541 0.0541
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Entamoeba histolytica fatty acid elongase, putative 0.0124 0.043 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0147 0.0541 0.7765
Plasmodium vivax glutathione reductase, putative 0.0038 0.0009 0.002
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0031 0.0039
Trypanosoma brucei trypanothione reductase 0.0038 0.0009 0.0087
Schistosoma mansoni hypothetical protein 0.0041 0.0023 0.0332
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1043 1
Onchocerca volvulus 0.0179 0.0696 0.1639
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0009 0.0087
Loa Loa (eye worm) ShTK domain-containing protein 0.0179 0.0696 0.6674
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.0305 0.0394
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0009 0.0086
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.0512 0.7846
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0248 0.1032 1
Plasmodium vivax hypothetical protein, conserved 0.0147 0.0541 0.1205
Loa Loa (eye worm) hypothetical protein 0.0147 0.0541 0.5182
Echinococcus granulosus lysine specific histone demethylase 1A 0.0147 0.0541 0.8287
Loa Loa (eye worm) hypothetical protein 0.0147 0.0541 0.5182
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.0624 0.5981
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.0246 0.0265
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.0246 0.4551
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.0246 0.0265
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0134 0.192
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.0305 0.1004
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0009 0.001
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0317 0.1045
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.1043 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0317 0.3043
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.0293 0.0316
Onchocerca volvulus 0.0179 0.0696 0.1639
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0009 0.002
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0031 0.0468
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.0246 0.0265
Loa Loa (eye worm) hypothetical protein 0.0179 0.0696 0.6674
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.1043 1
Schistosoma mansoni tyrosinase precursor 0.0179 0.0696 1
Echinococcus multilocularis expressed conserved protein 0.0093 0.0276 0.0356
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.0293 0.0316
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2086 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0161 0.0531
Loa Loa (eye worm) hypothetical protein 0.0099 0.0305 0.2926
Loa Loa (eye worm) hypothetical protein 0.0101 0.0317 0.3043
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.0667 0.6394
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.0293 0.0316
Mycobacterium tuberculosis Probable reductase 0.0087 0.0246 0.0265

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 140 uM Cytotoxicity against human HaCaT cells assessed as inhibition of cell viability after 48 hrs by MTT assay ChEMBL. No reference

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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